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# Discovery of powerful millisecond flares from Cygnus X-1

## 1 Introduction

Among Galactic black-hole X-ray sources, Cyg X-1 is both the best-studied and the first one discovered (Bowyer et al. 1965). Its X-ray variability on various time scales has been considered to be relatively modest. In its dominant hard state, lightcurves for a wide range of time scales consist of repeating flares and dips, in which the flux departs from its average value by a factor of at most a few (Negoro, Miyamoto & Kitamoto 1994; Feng, Li & Chen 1999, hereafter F99; Zdziarski et al. 2002, hereafter Z02). The corresponding rms variability over the range of time scales of $`10^3`$ s is typically $`50`$ per cent (Lin et al. 2000). In the soft state, the overall X-ray variability corresponds to an even lower rms, and it can be decomposed into a constant blackbody-like component and a tail varying within a factor of $`2`$ (Churazov et al. 2001; Z02). Recently, occasional departures from the above patterns have been reported by Stern, Beloborodov & Poutanen (2001) and Golenetskii et al. (2003), who reported several long outbursts lasting $`10^3`$ s during which the 15–300 keV flux increased about an order of magnitude above the average.

On short timescales, (relatively weak) flares or shots are seen in the X-ray light curves, although the description of the variability of Cyg X-1 in terms of this model is not unique (e.g., Lochner, Swank & Szymkowiak 1991; Negoro et al. 1994, 1995; Pottschmidt et al. 1998; F99) as well as the shots cannot correspond to independent, randomly occurring, events (e.g., Uttley & McHardy 2001). The shot profiles depend on the spectral state, with shots in the soft state being faster than those in the hard state (F99).

In this Letter, we report the discovery with the RXTE/PCA of very strong subsecond flares occuring both during the hard and the soft states (with the count rate increasing by a factor up to $`20`$). The strongest and fastest flare occured during the extended soft state in 2002 (Z02). During that flare, the 3–30 keV flux increased by a factor of $`30`$. The flare was preceded by a weaker precursor, which showed an e-folding time scale of $`2`$ ms. This is similar to the light travel time across an inner accretion disc around a $`10\mathrm{M}_{\mathrm{}}`$ black hole (1 ms $`20GM/c^3`$), and it is $`1/2`$ of the Keplerian period on the minimum stable orbit in the Schwarzschild metric. It also closely corresponds to the e-folding time of the 1999 flare of Sgr A (Baganoff et al. 2001) of $`400`$ s, which is $`30GM/c^3`$ for a $`3\times 10^6\mathrm{M}_{\mathrm{}}`$ black hole. Although variability on ms time scales in Cyg X-1 was reported from early experiments (Rothschild et al. 1974, 1977; Boldt 1977; Meekins et al. 1984), its reality was questioned (Press & Schechter 1974; Weisskopf & Sutherland 1978; Chaput et al. 2000). Also, no power on time scales $`<2`$ ms has been detected in the PCA data for Cyg X-1 (Revnivtsev, Gilfanov & Churazov 2000), which appears to be generally the case for black-hole binaries (Sunyaev & Revnivtsev 2000).

The occurence of strong flares during the soft state is especially interesting because that state of black-hole binaries is likely to be the stellar counterpart of Narrow Line Seyfert 1s (NLS1s, Pounds, Done & Osborne 1995). This correspondence has sometimes been questioned on the ground of the relatively weak variability in the soft state of Cyg X-1. However, the variability of the soft-state flare reported here does resemble, in fact, the extreme variability of NLS1s (e.g., Boller et al. 1997; Brandt et al. 1999).

## 2 Data Analysis

We have searched the entire RXTE/PCA Cyg X-1 public data (2.3 Ms available as of 2003 March) for fast flares using the following algorithm. We extract the PCA Standard-1 lightcurves (from all layers and detectors available) with 0.125 s timing resolution in 128 s segments. For each segment, we calculate the average count rate, $`C`$, and its standard deviation, $`\sigma `$ (which is dominated by the intrinsic source variability, i.e., $``$ the Poissonian $`\sigma `$ of the count rate). Then, we look for events with excess count rate $`>10\sigma `$ over the average in each segment. This condition is chosen to correspond to events much stronger than those expected from a normal distribution of fluctuations of any nature \[the relevant value of the errror function is $`\mathrm{erfc}(10)2\times 10^{45}`$\]. Table 1 gives a log of the 13 fast strong flares we have found.

Since the bin length of 0.125 s is rather long in comparison to the ms time scales present in the flares, the peak intensities of some short flares may be significantly diminished by averaging over the bin duration. Therefore, the procedure we apply may not find all short events above a given threshold. Thus, the number of flares given here represents a lower limit on the actual $`>10\sigma `$ population.

For in-depth analysis, we have selected the flares 1 and 13, in the hard and soft state (see below), respectively. For both, we have extracted the PCA lightcurves from Single-Bit and Event modes in three energy bands (2–5.1, 5.1–13, 13–60 keV for flare 1, and 2–5.7, 5.7–14.8, 14.8–60 keV for flare 13). We dynamically adjust the bin length in order to limit the statistical errors. The lightcurves were corrected for the dead time of the detectors using a standard prescription given by the RXTE team (both VLE and non-VLE and taking into account the loss of a Propane layer in PCU0 after 2000 May 13). This correction reaches 23 per cent at the peak of the flare 13, and it is less for other flares. We assumed the dead-time effects to be energy independent. A constant background level estimated from the Standard 2 data has been subtracted. The background rate is $``$ that of the source even outside the flares. We note that the events were detected by all the PCA detectors available as well as by the HEXTE, which excludes their origin from high-energy particles hitting a detector. The HEXTE data have also been corrected for the background and dead time. We plot their lightcurves in Fig. 1 together with that of flare 9 shown for comparison. For the flares 1 and 3, we have also been able to obtain simultaneous 1-s resolution BATSE data (B. Stern, private communication). The BATSE lightcurves in the channel $`<50`$ keV show increases of the countrate in the 1-s interval containing the flare with respect to the preceeding one at the level of $`4.8\sigma `$, $`5.6\sigma `$, respectively. This further confirms the reality of the flares.

We calculate the hardness ratios between the above energy bands. Then, we use an absorbed power-law model in xspec to simulate PCA spectra for different values of the spectral index, $`\mathrm{\Gamma }`$. By comparing the count rate and hardness ratios in the lightcurves and in the simulated spectra, we estimate unabsorbed $`\mathrm{\Gamma }`$ and the energy flux in each time bin. A power law with that $`\mathrm{\Gamma }`$ yields then the same hardness ratio as the actual spectrum, thus representing the overall spectral hardness (see Z02). We also extract energy spectra within 200 and 70 ms around the peak for flares 1 and 13, respectively, from Binned and Event modes of the PCA. Unfortunately, low energy channels in the Binned modes suffer from overflowed counters at high count rates, so only the data at $``$ 10 keV are usable.

Fig. 2 shows ASM and BATSE lightcurves showing the times of the occurence of the flares. Based on the ASM data, 1.89 Ms, 0.15 Ms, and 0.21 Ms of the studied exposure time correspond to the hard, intermediate and soft state, respectively (see Z02 for the definitions). Notably, 12 flares occured in the rather average hard state, with the 3–12 keV and 20–300 keV hardness corresponding to $`\mathrm{\Gamma }1.6`$ and 2.0, respectively, and outside of any strong peaks of the ASM flux. The corresponding PCA data yield the intrinsic indices (corrected for absorption and reflection) in a narrow range around $`\mathrm{\Gamma }1.7`$. On the other hand, the last flare occured during a part of the extended 2002 soft state when the 3–12 keV slope was the softest ever, $`\mathrm{\Gamma }3.5`$.

## 3 Flares in the soft state

The lightcurve of the flare 13 is shown in Figs. 1c and 3. Fig. 3 gives detailed PCA profiles of both the main flare and the precursor, as well as the HEXTE lightcurve, very similar in shape to the PCA one. The peak of the count rate profile of the main flare is not well fitted by an exponential function, and therefore we used a stretched exponential, $`C_0\mathrm{exp}[(|\mathrm{\Delta }t|/\tau )^\beta ]+C_1`$, where $`\beta =0.65\pm 0.05`$, $`0.70\pm 0.10`$ and $`\tau =17\pm 5`$, $`21\pm 6`$ ms before and after the peak, respectively. Even this function does not provide a good overall fit ($`\chi ^2/\nu =590/220`$), as the main flare appears to be superposition of several subflares much faster, $`2`$ ms, than the overall profile. If we fit the peak profile with the sum of two exponentials and a constant on each side of the peak (Negoro et al. 1994; F99), the shorter time scale is $`\tau 7`$ ms for both rise and decline, which is comparable to those obtained by F99 for the average soft-state shot (with the relative amplitude $`2`$). The residuals for this model are very similar to those shown in Fig. 3a. After the initial fast decline, we see a slow return to the average level (see Fig. 1c) with the e-folding time of $`3.2\pm 0.6`$ s. On the other hand, the precursor profile (Fig. 3b) shows the rise and decline with the e-folding time as short as 1 ms and 2 ms, respectively.

The 3–30 keV flux during 2 ms containing the peak of the flare reached $`(3.0\pm 0.6)\times 10^7`$ erg cm-2 s-1, which is $`30`$ times the corresponding average flux in a 16 s period before the flare \[and corresponds to $`L(1.4\pm 0.3)\times 10^{38}`$ erg s-1 at $`d=2`$ kpc, which distance we assume hereafter\]. Fig. 4 shows the 3–30 keV energy flux profile as well as the average spectral indices in the spectral bands of 2–14.8 keV and 5.7–60 keV. We see a strong hardening in both bands during both the main flare and the precursor, with $`\mathrm{\Gamma }_{214.8}`$ decreasing from $`4`$ to $`2.2\pm 0.1`$ during 10 ms around the peak of the flux, and then correlated with the flux during the $`10`$ s-long decline. The evolution of $`\mathrm{\Gamma }_{5.760}`$ is from $`3`$ to $`1.7\pm 0.2`$ at the peak 10 ms. We note that an even stronger hardening occured during the precursor. All these changes are much stronger than a moderate hardening found by F99 for the soft-state shots (with the amplitude $`2`$).

Given the values of the flux and spectral indices at the peak, we can plot schematically the peak 3–30 keV spectrum in Fig. 5a. We also show the PCA spectrum from a 70 ms period containing the flare, which we plot normalized to the peak flux. Fig. 5a also shows the PCA spectrum from a 16 s interval preceding the flare as well as the average PCA/HEXTE spectrum from the entire observation of 2002 July 30–31. For comparison, we also show the broad-band spectrum of the soft state in 1996 June from BeppoSAX and CGRO (McConnell et al. 2002).

The last three soft-state spectra have been fitted with a hybrid Comptonization model, in which disc blackbody emission is upscattered by electrons with a Maxwellian distribution and a non-thermal tail (Coppi 1999; Gierliński et al. 1999). The tail is formed due to electron acceleration at a power-law rate with an acceleration index, $`\mathrm{\Gamma }_{\mathrm{acc}}`$. Then, the steady-state electron distribution is solved for self-consistently, taking into account all important processes. The 2002 soft-state spectra are adequately described by this model. In particular, $`\chi ^2/\nu =75/81`$ (assuming a 1 per cent systematic error for the PCA) for the fit to the PCA/HEXTE spectrum from the entire 2002 July 31 observation, with low $`\chi ^2`$ residuals shown in Fig. 5c. We have found that the 2002 spectra have much softer tails, corresponding to $`\mathrm{\Gamma }_{\mathrm{acc}}3.9\pm 0.6`$, compared to $`\mathrm{\Gamma }_{\mathrm{acc}}2.5`$ in 1996 June (Gierliński et al. 1999; Frontera et al. 2001; McConnell et al. 2002). Also, the luminosity in the tail is significantly lower than that during the 1996 soft state. In both cases, that power is much less than that in the blackbody disc emission, shown for the 1996 spectrum (which was measured at soft X-rays) by the green dashed curve in Fig. 5a.

The question arises what is the nature of the spectrum during the flare. We note that transient black-hole binaries go through the so-called very high state at high luminosities (e.g. Miyamoto et al. 1991), with a high amplitude of the high-energy tail with respect to the blackbody. Recently, Gierliński & Done (2003) have shown that the very high state spectrum of the transient XTE J1550–564 is well fitted by the hybrid model with the ratio between the power in the Comptonizing plasma to that in the blackbody disc of $`1`$. Then, the tail starts near the peak of the blackbody spectrum. Motivated by this, we have looked into the possibility that the flare spectrum is of similar nature, and found this indeed plausible. The black dashed curve in Fig. 5a shows the intrinsic spectrum of a possible model, with the blackbody component higher by a factor of $`2`$ than that during the 1996 soft state. The presence of non-thermal electrons is not constrained by the data, and we assumed that the power supplied to electron acceleration is the same as that in electron heating (similarly to the case of XTE J1550–564, Gierliński & Done 2003). The hardening at $`10`$ keV is due to the onset of Compton reflection (Magdziarz & Zdziarski 1995), assumed here to correspond to a solid angle of $`2\pi `$.

The bolometric flux of this model is $`9\times 10^7`$ erg cm-2 s-1, which is $`6`$ times the bolometric flux of the intrinsic emission observed by BeppoSAX and CGRO in 1996, and corresponds to $`L4.5\times 10^{38}`$ erg s-1, i.e. $`0.3`$ of the Eddington luminosity of a $`10\mathrm{M}_{\mathrm{}}`$ star. The physical origin of the flare may be related to a disc instability close to its inner edge, in which there is a sudden conversion of energy accumulated in the Keplerian disc into magnetic heating of a hot plasma (e.g., Machida & Matsumoto 2003), or to flipping among multiple state of the accretion flow with large amplitude on short dynamical timesclaes as exhibited in recent MHD simulations by Proga & Begelman (2003). Another possibility is accumulation of a very large amount of energy in a flare above the disc surface and its subsequent fast release (e.g., Beloborodov 1999).

Interestingly, we also found two weaker flares (with the excess flux divided by rms of $`8`$, thus not listed in Table 1) in the 2002 soft state, during which the X-ray spectrum softened. This is opposite to the case above, indicating more than one physical scenario leading to flaring in the soft state.

## 4 Flares in the hard state

Figs. 1a and 6 show the count rate history of the first flare on 1996 Dec. 16. By fitting by a streched exponential, we obtain $`\tau =27\pm 10`$, $`79\pm 24`$ ms and $`\beta =0.50\pm 0.08`$, $`0.45\pm 0.10`$ during the rise and decline, respectively. Although relatively strong, this flare is representative for other hard-state flares, see, e.g. the profile of flare 9 in Fig. 1b. Note also the appearance of four flares within 16 hr on 1996 Dec. 16, and two flares within 5 hr on 1997 Jan. 17. This indicates flare clustering with the correlation time of several hours.

Fig. 7 shows the corresponding profile in energy flux units as well as the average spectral indices in the spectral bands of 2–13 keV and 5.1–60 keV. The 3–30 keV flux during 2 ms containing the peak reached $`(1.9\pm 0.3)\times 10^7`$ erg cm-2 s-1, which is $`11\pm 2`$ times the corresponding average flux in a 16 s period before the flare, and corresponds to $`L(9\pm 1)\times 10^{37}`$ erg s-1. We now see a softening during the flare (more pronounced in the 2–13 keV band), with $`\mathrm{\Gamma }_{213}`$ and $`\mathrm{\Gamma }_{5.160}`$ increasing from $`1.7`$ to $`2.0\pm 0.1`$ and from $`1.5`$ to $`1.7\pm 0.1`$, respectively, averaged over 33 ms containing the peak. A similar softening during the shots in the hard state has been found by Negoro et al. (1994) and F99. Note that the X-ray spectrum at the peak is rather similar to the corresponding one of the soft-state flare.

Given the values of the flux and spectral indices at the peak, we can plot schematically the peak 3–30 keV spectrum in Fig. 5b, together with the PCA spectrum from a 16 s interval preceding the flare as well as the average PCA/HEXTE spectrum from the entire observation of 1996 Dec. 16. We also obtained the PCA spectrum from 0.2 s containing the flare peak, which is shown in Fig. 5b, and is fully compatible with the estimate from broad-band fluxes. For comparison, we also show the average hard-state spectrum from CGRO and BeppoSAX (McConnell et al. 2002). Given the form of the flare spectra, a large increase of the flux of seed photons for Comptonization is required, as illustrated by the black dashed curve in Fig. 5b. This model is based on those for the hard state by Frontera et al. (2001) and Di Salvo et al. (2001), where there are two thermal Comptonization regions, dominating in soft and hard X-rays, respectively. The bolometric flux of this model is $`8\times 10^7`$ erg cm-2 s-1, which is $`20`$ times the average bolometric flux in the hard state (Z02), and corresponds to $`L3.7\times 10^{38}`$ erg s-1. Note that the similarity of the peak spectrum of this flare to that in the soft state implies that a hybrid model similar to that shown in Fig. 5a is also possible. Notably, the $`10^3`$-s flares found by Goleneetski et al. (2003) also show similar peak spectra and fluxes.

## 5 Statistics of the flares

An important question is that of the relation of our flares to the much weaker peaks seen in X-ray lightcurves of Cyg X-1. Apart from the issue of the applicability of the shot-noise model to Cyg X-1, we can still consider the distribution of the relative amplitudes of those peaks, or shots, with respect to the local average. That was studied by Negoro et al. (1995) and Negoro & Mineshige (2002) for the hard state. The overall shape and time scales of their shots, although with much lower amplitudes, is relatively similar to that of the 12 flares found here. Those authors have found good fits to the distribution of the peak shot count rates in 31.25 ms time bins by either an exponential or a log-normal function (with a power law strongly ruled out). Their results for $`1.5r3.5`$, where $`r`$ is the ratio of the shot peak count rate to the average, can be expressed as the integral distribution of $`\mathrm{d}N/\mathrm{d}t(>r)40\mathrm{exp}(2.8r)`$ s-1 or $`4_r^{\mathrm{}}dr^{}\mathrm{exp}(4\mathrm{ln}^2r^{})`$ s-1 (using the net exposure of 8320 s, H. Negoro, private communication).

For our hard-state flares, we have found the increase of the count rate in 32 ms bins (which is significantly lower than the actual increase seen with ms resolution) with respect to the preceding 10 s is by a factor of 6.5 for the flares 1, 3 and 9 (and slightly less for the others). Then, the rate of events stronger or equal than that is $`4\times 10^7`$ s-1, $`1.7\times 10^6`$ s-1 for the two above distributions, respectively. Given our hard-state exposure of 1.9 Ms, the former and the latter distribution predicts 0.7, 3.3 events, respectively. Thus, the flares in the hard state can represent the extreme end of the shot distribution, with its log-normal form (proposed by Negoro & Mineshige 2002) preferrred by our data.

Although shots in the soft state have been studied by F99, no distribution of their amplitudes is available. If we still apply the formula for the log-normal distribution in the hard state to the obtained relative increase of the 32-ms count rate of 9.2 for the flare 13, we obtain one predicted event per $`1.3\times 10^8`$ s, i.e., a much longer time interval than our soft-state exposure. Thus, the distribution of flare amplitudes in the soft state has most likely a different form.

## ACKNOWLEDGMENTS

This research has been supported by grants 5P03D00821, 2P03C00619p1,2, PBZ-KBN-054/P03/2001 (KBN) and the Foundation for Polish Science. We thank B. Stern for the BATSE data, K. Jahoda for help with RXTE data processing, and the referee and H. Negoro for valuable comments.


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# Can wormholes have negative temperatures?

## Abstract

We study (3+1) Morris-Thorne wormhole to investigate its higher dimensional embedding structures and thermodynamic properties. It is shown that the wormhole is embedded in (5+2) global embedding Minkowski space. This embedding enables us to construct the wormhole entropy and wormhole temperature by exploiting Unruh effects. We also propose a possibility of negative temperature originated from exotic matter distribution of the wormhole.

wormhole; global embedding; Hawking temperature

1. Introduction. Since the cosmic microwave background was discovered, there have been many ideas and proposals to figure out how the universe has evolved. The standard big bang scenario has led to the inflationary cosmology guth  and nowadays to the M-theory cosmology with bouncing universes seiberg . There have been also considerable discussions on the theoretical existence of wormhole geometry, since Morris and Thorne (MT) proposed a possibility of traversable wormhole, through which observers can pass travelling between two universes as a short cut mt88 . According to the Einstein field equations, the MT wormhole needs the exotic matter, which violates the weak energy condition.

On the other hand, it has been discovered the novel aspects that the thermodynamics of higher dimensional black holes can often be interpreted in terms of lower dimensional black hole solutions high . In fact, a slightly modified solution of (2+1) dimensional Banados-Teitelboim-Zanelli black hole btz ; cal  yields a solution to the string theory, so-called the black string horowitz93 . Since the thermal Hawking effects hawking  on a curved manifold were studied as Unruh effects unruh  in a higher flat dimensional space-time, following the global embedding Minkowski space (GEMS) approach kasner  several authors recently have shown that this approach could yield a unified derivation of temperature for various curved manifolds in (2+1) dimensions des ; btz ; cal ; hong00prdbtz  and in (3+1) dimensions des ; rea ; kps00 . Moreover, the MT wormhole has been described in terms of its embedding profile surface geometry mt88 .

In this paper we will analyze the geometries of the MT wormhole manifolds mt88  to construct their higher dimensional flat embeddings, which will be shown to be related with the embedding profile surface geometry of the wormhole. In these GEMS embeddings, we will investigate the Hawking temperature and entropy via the Unruh effects to propose a possibility of “negative temperature” associated with the “exotic matter.” Recently, the exotic matter was introduced in the Friedmann-Robertson-Walker model where the bouncing universe could be initiated by the negative energy density at the big crunch hwang . Moreover, a possibility of negative temperature has been proposed in the de Sitter geometry even though it was forbidden due to thermodynamic instability minic .

2. GEMS geometries of wormholes. In order to study the GEMS structure for wormholes, we start with the static MT wormhole four-metric of the form mt88 ; kim01

$$ds^2=e^{2\mathrm{\Phi }(r)}dt^2\left(1\frac{b(r)}{r}\right)^1dr^2r^2(d\theta ^2+\mathrm{sin}^2\theta d\varphi ^2)$$
(1)
where the arbitrary smooth functions $`\mathrm{\Phi }(r)`$ and $`b(r)`$ are the lapse and wormhole shape functions. Note that, in order for the wormhole to be maintained, the wormhole function $`b(r)`$ should be positive and satisfy the flaring-out condition, which will be explicitly given later in the GEMS structure. The lapse function $`\mathrm{\Phi }(r)`$ is finite everywhere.

After some algebra, we obtain the (5+2) GEMS structure $`ds^2=\eta _{MN}dx^Mdx^N`$ with the flat Minkowski metric

$$\eta _{MN}=\mathrm{diag}(+1,1,1,1,1,1,+1),$$
(2)
where the coordinate transformations are given, with two additional space-like and one time-like dimensions, as follows

$`x^0`$ $`=`$ $`k_S^1e^{\mathrm{\Phi }(r)}\mathrm{sinh}\kappa t,`$
$`x^1`$ $`=`$ $`k_S^1e^{\mathrm{\Phi }(r)}\mathrm{cosh}\kappa t,`$
$`x^2`$ $`=`$ $`r\mathrm{sin}\theta \mathrm{cos}\varphi ,`$
$`x^3`$ $`=`$ $`r\mathrm{sin}\theta \mathrm{sin}\varphi ,`$
$`x^4`$ $`=`$ $`r\mathrm{cos}\theta ,`$
$`x^5`$ $`=`$ $`{\displaystyle \frac{\mathrm{d}r}{\left(1\frac{b(r)}{r}\right)^{1/2}}},`$
$`x^6`$ $`=`$ $`{\displaystyle dr\left[1+k_S^2(\mathrm{\Phi }^{}(r))^2e^{2\mathrm{\Phi }(r)}\right]^{1/2}},`$ (3)
where the coordinate $`x^5(\mathrm{},+\mathrm{})`$ corresponds to the proper radial distance measured by static observers mt88  and $`k_S`$ is the surface gravity, which will be discussed later.

For a submanifold on an equatorial slice $`(\theta =\pi /2)`$ at a fixed moment of time, the MT wormhole metric (1) is reduced into

$$ds^2=\left(1\frac{b(r)}{r}\right)^1dr^2r^2d\varphi ^2,$$
(4)
and its (3+1) GEMS structure is given by $`ds^2=(dx^2)^2(dx^3)^2(dx^5)^2+(dx^6)^2`$ with

$`x^2`$ $`=`$ $`r\mathrm{cos}\varphi ,`$
$`x^3`$ $`=`$ $`r\mathrm{sin}\varphi ,`$
$`x^5`$ $`=`$ $`{\displaystyle \frac{\mathrm{d}r}{\left(1\frac{b(r)}{r}\right)^{1/2}}},`$
$`x^6`$ $`=`$ $`r.`$ (5)
Moreover, defining the new coordinate $`z`$ as $`dz^2=(dx^5)^2(dx^6)^2`$, the above (3+1) GEMS structure is reduced into the (3+0) GEMS one

$$ds^2=(dx^2)^2(dx^3)^2dz^2=dr^2r^2d\varphi ^2dz^2$$
(6)
with $`(x^2,x^3)`$ given by (5) and $`z`$ defined as

$$z=\frac{\mathrm{d}r}{\left(\frac{r}{b(r)}1\right)^{1/2}},$$
(7)
which describes the embedding profile surface of the MT wormhole geometry mt88 .

3. Thermodynamics in wormhole GEMS. Consider the thermodynamic properties of the static MT wormhole described by the GEMS coordinate transformations (3). Introducing the Killing vector $`\xi =_t`$ we evaluate the surface gravity $`k_S`$ at radius $`r`$

$$k_S=\mathrm{\Phi }^{}(r)e^{\mathrm{\Phi }(r)}\left(1\frac{b(r)}{r}\right)^{1/2}.$$
(8)
In the GEMS structure, the Hawking temperature is attainable through the relation $`T_H=a_7/2\pi `$ with the (5+2) acceleration $`a_7`$. For the Unruh detectors moving according to constant $`r,\theta ,\varphi `$ as in the Schwarzschild black hole GEMS des ; kps00 , $`a_7`$ is described by the Rindler-like motion in the embedded flat space as follows

$$a_7^2=(x^1)^2(x^0)^2$$
(9)
in the $`(x^0,x^1)`$ plane to yield

$$a_7^2=k_S^2e^{2\mathrm{\Phi }(r)}.$$
(10)
Substituting the surface gravity $`k_S`$ in (8) into (10), we obtain the Hawking temperature

$$T_H=\frac{a_7}{2\pi }=\frac{1}{2\pi }\mathrm{\Phi }^{}(r)\left(1\frac{b(r)}{r}\right)^{1/2},$$
(11)
which is consistent with the fact that the $`a_7`$ is also attainable from the relation

$$a_7=\frac{k_S}{g_{00}^{1/2}}.$$
(12)
Moreover, the desired wormhole temperature is given by

$$T_0=\frac{k_S}{2\pi }=\frac{1}{2\pi }\mathrm{\Phi }^{}(r)e^{\mathrm{\Phi }(r)}\left(1\frac{b(r)}{r}\right)^{1/2}.$$
(13)
Here one notes that, even though the event horizon does not exist in the wormhole, in constructing the above Hawking and wormhole temperatures we have taken the limit that $`r`$ approaches $`r=b(r)`$, corresponding to the event horizons of the black holes, to yield the suprema of these wormhole temperatures. This continuous limiting procedure makes sense in ensuring the existence of the Hawking and wormhole temperatures since the temperatures of the geometrical objects are purely defined in terms of their geometrical surface gravities wald  and the suprema of the wormhole temperatures are well-defined.

In the orthonormal basis with the metric $`g_{\widehat{\mu }\widehat{\nu }}=\mathrm{diag}(+1,1,1,1)`$, the wormhole stress-energy tensor is given by mt88 ,

$$T_{\widehat{\mu }\widehat{\nu }}=\mathrm{diag}(\rho (r),\tau (r),p(r),p(r)),$$
(14)
where $`\rho `$ is the total density of mass-energy, $`\tau `$ is the tension per unit area measured in the radial direction, and $`p`$ is the pressure measured in lateral direction. Note that, in an ordinary perfect fluid, $`\tau =p`$. In the orthonormal basis, one can evaluate the non-vanishing Ricci components and the Einstein curvature:

$`R_{\widehat{0}\widehat{0}}`$ $`=`$ $`\left(\mathrm{\Phi }^{\prime \prime }+(\mathrm{\Phi }^{})^2\right)\left(1{\displaystyle \frac{b}{r}}\right)+\mathrm{\Phi }^{}\left({\displaystyle \frac{3b}{2r^2}}{\displaystyle \frac{b^{}}{2r}}+{\displaystyle \frac{2}{r}}\right),`$
$`R_{\widehat{1}\widehat{1}}`$ $`=`$ $`\left(\mathrm{\Phi }^{\prime \prime }+(\mathrm{\Phi }^{})^2\right)\left(1{\displaystyle \frac{b}{r}}\right)+\left(\mathrm{\Phi }^{}+{\displaystyle \frac{2}{r}}\right)\left({\displaystyle \frac{b}{2r^2}}+{\displaystyle \frac{b^{}}{2r}}\right),`$
$`R_{\widehat{2}\widehat{2}}`$ $`=`$ $`R_{\widehat{3}\widehat{3}}={\displaystyle \frac{1}{r^2}}\left(\mathrm{\Phi }^{\prime \prime }(r+b)+{\displaystyle \frac{b}{2r}}+{\displaystyle \frac{b^{}}{2}}\right),`$
$`R`$ $`=`$ $`2\left(\mathrm{\Phi }^{\prime \prime }+(\mathrm{\Phi }^{})^2\right)\left(1{\displaystyle \frac{b}{r}}\right)+\mathrm{\Phi }^{}\left({\displaystyle \frac{3b}{r^2}}{\displaystyle \frac{b^{}}{r}}+{\displaystyle \frac{4}{r}}\right){\displaystyle \frac{2b^{}}{r^2}}.`$ (15)
From the Einstein field equations $`G_{\widehat{\mu }\widehat{\nu }}=R_{\widehat{\mu }\widehat{\nu }}\frac{1}{2}g_{\widehat{\mu }\widehat{\nu }}R=8\pi GT_{\widehat{\mu }\widehat{\nu }}`$ and (15), one can obtain

$`b^{}`$ $`=`$ $`8\pi Gr^2\rho ,`$
$`\mathrm{\Phi }^{}`$ $`=`$ $`{\displaystyle \frac{b8\pi Gr^3\tau }{2r(rb)}},`$
$`\tau ^{}`$ $`=`$ $`(\rho \tau )\mathrm{\Phi }^{}{\displaystyle \frac{2}{r}}(p+\tau ),`$ (16)
which yield, together with (11) and (13), the Hawking temperature, wormhole temperature and wormhole shape function,

$`T_H`$ $`=`$ $`{\displaystyle \frac{1}{4\pi r^2}}{\displaystyle \frac{b(r)8\pi Gr^3\tau (r)}{\left(1\frac{b(r)}{r}\right)^{1/2}}},`$
$`T_0`$ $`=`$ $`{\displaystyle \frac{1}{4\pi r^2}}{\displaystyle \frac{b(r)8\pi Gr^3\tau (r)}{\left(1\frac{b(r)}{r}\right)^{1/2}}}e^{\mathrm{\Phi }(r)},`$
$`b(r)`$ $`=`$ $`{\displaystyle _0^r}dr^{}8\pi Gr^2\rho (r^{}),`$ (17)
where we have extended the lower bound of $`b(r)`$ to zero even though there exists no exotic matter up to the throat $`r=r_0`$. Note that in the Hawking and wormhole temperatures in (Can wormholes have negative temperatures?), one cannot exclude the possibility of the negative temperature in the case of $`b(r)<8\pi Gr^3\tau (r)`$. Recently, the negative temperature has been proposed in the de Sitter geometry minic . However, due to the thermodynamic instability of the de Sitter space, the negative temperature was prohibited. In the wormhole case, there could exist the “negative temperature” originated from the “exotic matter,” different from the de Sitter case which does not allow the exotic matter.

Next, for the MT wormhole geometry to be connectible to asymptotically flat space-time, the embedding profile surface $`z=z(r)`$ in (7) flares outward from the throat at $`r=b`$ to yield the flaring-out condition at or near the throat

$$\frac{d^2r}{dz^2}=\frac{bb^{}r}{2b^2}>0,$$
(18)
from which one obtains the constraint at or near the throat mt88 ,

$$\frac{\tau \rho }{|\rho |}>0.$$
(19)
For the limit of $`x^5\pm \mathrm{}`$, one has two regions (or universes), and at $`x^5=0`$ the wormhole shape function $`b(r)`$ has a minimum value at $`r=r_0`$. In order to investigate the thermodynamics in the wormhole geometry, one may consider a specific case that the exotic matter resides only on the neck of the wormhole,

$$\rho (r)=\rho _0\delta (rr_0),\tau (r)=\tau _0\delta (rr_0),$$
(20)
and the two universes contact at $`x^5=0`$. Note that the wormhole shape function is then given by

$$b(r)=8\pi Gr_0^2\rho _0>0,$$
(21)
to yield the Hawking temperature and wormhole temperature,

$`T_H`$ $`=`$ $`{\displaystyle \frac{b_0}{4\pi r^2\left(1\frac{b_0}{r}\right)^{1/2}}}{\displaystyle \frac{2Gr_0\tau _0}{\left(1\frac{b_0}{r_0}\right)^{1/2}}}\delta (rr_0),`$
$`T_0`$ $`=`$ $`{\displaystyle \frac{b_0}{4\pi r^2}}2Gr_0\tau _0\delta (rr_0),`$ (22)
showing that the wormhole temperature is positive (negative) outside (inside) the exotic matter distribution, since at $`rr_0`$ one has only the positive first term while at $`r=r_0`$ the negative second term associated with the delta function and the suppressed first term. Note that, even though the metric (1) has smooth geometry, the temperature (11) can be discontinuous since the factor $`\mathrm{\Phi }^{}(r)`$ in (16) is associated with the exotic matter to yield discontinuity as in the temperature (22).

For the further investigation of the wormhole temperature outside the exotic matter distribution, we assume for brevity that $`\rho `$, $`\tau `$ and $`p`$ vanish at all radii $`r>r_0`$ for some surface radius $`r=r_0`$ with constant distribution for some finite region. In this distribution $`\mathrm{\Phi }^{}`$ is also negative which means “negative temperature” by the third relation of (16). One can thus have outside the cut-off at $`r=r_0`$ the geometry of the standard Schwarzschild form mt88

$`b(r)`$ $`=`$ $`b(r_0)=\mathrm{const}=B>0,`$
$`\mathrm{\Phi }(r)`$ $`=`$ $`{\displaystyle \frac{1}{2}}\mathrm{ln}\left(1{\displaystyle \frac{B}{r}}\right).`$ (23)
Exploiting (11) and (23), we arrive at the Hawking and wormhole temperatures in the region $`r>r_0`$

$`T_H`$ $`=`$ $`{\displaystyle \frac{B}{4\pi r^2\left(1\frac{B}{r}\right)^{1/2}}},`$
$`T_0`$ $`=`$ $`{\displaystyle \frac{B}{4\pi r^2}},`$ (24)
which are positive definite since $`\tau `$ vanishes in this region. Note that $`T_H`$ and $`T_0`$ vanish asymptotically consistent with the cosmological phenomenology.

To figure out further the negative temperature inside the exotic matter distribution, for the wormhole mass-energy density $`\rho `$ and tension $`\tau `$ one may take an ansatz of the forms kim96

$$\rho (r)=\rho _0r^\beta ,\tau (r)=\tau _0r^\beta ,$$
(25)
which, together with the inequality (19), yields

$$b(r)<\frac{8\pi Gr^3}{\beta +3}\tau (r),$$
(26)
so that the Hawking and wormhole temperatures (Can wormholes have negative temperatures?) are negative definite except the case $`3<\beta <2`$. However, the powers in the interval $`3<\beta <2`$ cannot take place in the tension $`\tau (r)`$ of the MT wormhole matter distribution satisfying the asymptotic flaring-out condition which holds in the interval $`\beta <3`$. The Hawking and wormhole temperatures within the exotic matter thus become negative at least when one assumes the energy density and the tension of the form(25).

In the wormhole geometry (20), one may have a manifold of the form $`S^2\times h`$ with $`h(\delta ,+\delta )`$ $`(\delta 0)`$ and the wormhole has two-sphere boundaries of radius $`b_0`$. Moreover, the entropy seen by an accelerated observer in the Minkowski space is attainable from the transverse area to the observer laf87 . In an embedded higher dimensional flat manifold, there exist embedding constraints to yield the finite transverse area or entropy. In the static wormhole GEMS of interest, one can thus formulate the entropy lower bound:

$$S=2𝑑x^2𝑑x^3𝑑x^4𝑑x^5𝑑x^6[(x^2)^2+(x^3)^2+(x^4)^2r^2]\delta (x^5)\delta [x^6f(r)]$$
(27)
where $`f(r)`$ can be read off from (3). Here the integration over $`x^6`$ subject to the constraint $`\delta [x^6f(r)]`$ is unity and the constraint $`\delta (x^5)`$ leads to $`r=b_0`$ so that the $`x^5`$ integral yields unity and the remaining integrals over $`x^i`$ ($`i=2,3,4`$) with constraint $`\delta [(x^2)^2+(x^3)^2+(x^4)^2r^2]`$ produce the area $`4\pi b_0^2`$. The factor 2 originates from the fact that one has two boundaries at $`h=\pm \delta `$. We thus arrive at the entropy lower bound

$$S=8\pi b_0^2,$$
(28)
which is consistent with the holographic description that all the microscopic quantum information is deposited on the upper and lower two-sphere boundaries of radius $`b_0`$, and with the fact that the entropy is extensive quantity. Moreover, for the other geometries of the standard Schwarzschild form (23) and of the ansatz (25), one can have additional area contributions from the nonvanishing surfaces for the wormhole shape functions at $`rr_0`$, to yield the increased entropies. The entropies for any cases are then constrained by the general “lower bound” value (28).

4. Conclusion. We have studied the (3+1) Morris-Thorne wormhole to obtain the (5+2) higher dimensional flat embedding structure. We have thus shown on these flat embedding geometries that the wormhole temperature has negative (positive) values inside (outside) the exotic matter distribution accumulated mostly around the wormhole shape radius, and the wormhole entropy lower bound is twice the throat area of the wormhole. Note that for the definition of the exotic matter one has the constraint condition (19) between $`\rho `$ and $`\tau `$, and in this paper we have assumed several forms of ansatz for these variables to evaluate the wormhole temperatures inside the exotic matter distributions. It will be interesting in further investigation to study the wormhole temperature without any ad hoc ansatz.

The authors would like to acknowledge financial support in part from the Korea Science and Engineering Foundation Grant R01-2000-00015.


text:
# OTIS Layouts of De Bruijn Digraphs Supported by the NNSFC Grant No. 19971056 and the RFDP Grant No. 2000024837.

## 1 INTRODUCTION

It is known that electronic interconnects perform better than optical interconnects when the distance is up to a few millimeters , while on a longer distance, the latter has many advantages over the former, like less crosstalk, less power consumption, higher speed, and high bandwidth channels at a single communication point . To take benefits from both optical and electronic technologies, Marsden et al.  proposed the Optical Transpose Interconnection System (OTIS), which has gained considerable attention . The idea of the OTIS system is to partition the processors into groups and use electronic interconnects for the intragroup communications(which are of short distance) while optical interconnects for the intergroup communications (which are of larger distance). For the purpose of designing a well-behaved OTIS system, we may hope to use some good topological structures as models for the electronic interconnects as well as the optical interconnects. Since arbitrary connections using optical links via lenses are harder to implement than using wires on a VLSI circuit, multi-chip module or printed circuit board, how to realize a given good topology as optical interconnects has been of special concern.

After the brief introduction of the background, we now turn to a mathematical abstraction of the OTIS layout problem. Let us follow the model of Coudert et al. . For any two integers $`ab`$, write $`[a,b]`$ for the set $`\{cZacb\}.`$ Suppose $`p,q`$ are two positive integers. Any $`a[0,pq1]`$ can be uniquely expressed as $`a=iq+j`$, where $`j[0,q1]`$ and $`i[0,p1].`$ We use the notation $`(i,j)_{p,q}`$ for such an $`a`$ and say that $`a`$ has first $`(p,q)`$-coordinate $`i`$ and second $`(p,q)`$-coordinate $`j`$. Let there be $`pq`$ processors, each equipped with an optical transmitter/receiver pair. We label these processors with $`[0,pq1]`$. Set two planes of lenses arrays, one consisting of $`p`$ lenses each corresponding to $`q`$ transmitters for a group of processors with the same first $`(p,q)`$-coordinate, the other consisting of $`q`$ lenses each corresponding to $`p`$ receivers for a group of processors with the same first $`(q,p)`$-coordinate. These lenses establish optical links from transmitters of processor $`(i,j)_{p,q}`$ to receivers of processor $`(q1j,p1i)_{q,p}`$ for $`i[0,p1],j[0,q1]`$, namely the directed optical links transpose both coordinates. For a divisor $`d>1`$ of $`pq,`$ we use electronic interconnects among processors with labels $`[kd,kd+d1]`$ for $`k[0,pq/d1].`$ This way, we then have built an OTIS$`(p,q,d)`$ architecture. Viewing each group of processors $`[kd,kd+d1]`$ as a node and assigning as many arcs from node $`[kd,kd+d1]`$ to $`[k^{}d,k^{}d+d1]`$ as there are optical links from transmitters of the first group to receivers of the second, we obtain a digraph $`H(p,q,d)`$, which reflects the optical intergroup communication pattern of the OTIS$`(p,q,d)`$ architecture. Note that we can also use two sets of processors in the above construction, one corresponding to the transmitters and the other the receivers. The basic connecting unit thus obtained may be cascaded to accommodate successive processing planes. It is not hard to see that the optical intergroup communication pattern of the resulting structure is a multistage interconnection network  and $`H(p,q,d)`$ characterizes its underlying topology. Observe that $`H(p,q,d)`$ is a $`d`$-regular digraph on $`pq/d`$ vertices. We now come to

###### Definition 1.1

( Definition 4.2) We say that a $`d`$-regular digraph $`G`$ has an OTIS layout provided there are positive integers $`p,q`$ such that $`G`$ is isomorphic to $`H(p,q,d)`$.

The OTIS layout problem is the problem to characterize all OTIS layouts for a given digraph and to find among all OTIS layouts the one which is optimal in some aspects, like using the fewest lenses, namely minimizing $`p+q.`$

The technique of line digraph iterations proves to be useful in producing vast families of good network models . Particularly, for any positive integers $`d`$ and $`n,`$ the $`n`$th line digraph of the complete digraph on $`d`$ vertices with loops, $`L^n(K_d^+)`$, called the $`n`$dimensional $`d`$ary De Bruijn digraph and denoted by $`B(d,n)`$, has been the focus of much study as a very good interconnection structure. It thus seems natural to address the isomorphisms between $`H(p,q,d)`$ and De Bruijn digraphs, or more generally, line digraphs.

Coudert et al. deduced the following characterization of OTIS$`(d^p^{},d^q^{})`$ layouts for De Bruijn digraphs.

###### Theorem 1.1

( Lemma 4.4) Let $`p^{}+q^{}1=n.`$ For any degree $`d`$, $`B(d,n)`$ and $`H(d^p^{},d^q^{},d)`$ are isomorphic if and only if the permutation $`f`$ of $`Z_n`$ defined by

$$f(i)=\{\begin{array}{cc}i+p^{}\hfill & ifi\{0,1,\mathrm{},q^{}2\};\hfill \\ p^{}1\hfill & ifi=q^{}1;\hfill \\ i+p^{}1(modn)\hfill & otherwise,\hfill \end{array}$$

is cyclic.

As a corollary, Coudert et al. ( Corollary 4.8) pointed out that whether or not $`B(d,n)`$ has an OTIS$`(d^p^{},d^q^{})`$ layout can be checked in $`O(n)`$ time. Finally, they concluded  by indicating that their exhaustive search led them to

###### Conjecture 1.1

If $`B(d,n)`$ has an OTIS$`(p,q)`$ layout, then $`p,q`$ must be powers of $`d.`$

Our paper is an effort to characterize all OTIS layouts of De Bruijn digraphs. Making use of Theorem 1.1, we will show in Section 2 that De Bruijn digraph $`B(d,n)`$ has an OTIS$`(d^p^{},d^{n+1p^{}})`$ layout if and only if $`\mathrm{gcd}(p^{},n+1)=1.`$ Note that using Euclidean algorithm, we only need $`O(\mathrm{log}n)`$ time steps to evaluate $`\mathrm{gcd}(p^{},n1)`$ ( Theorem 4.2.1) and thus it implies an improvement of the above-mentioned result of Coudert et al. from $`O(n)`$ to $`O(\mathrm{log}n).`$ As a step toward proving the conjecture of Coudert et al., we will prove in Section 3 that $`H(p,q,d)`$ is a line digraph if and only if $`d\mathrm{gcd}(p,q).`$

## 2 DE BRUIJN DIGRAPH

Let $`p^{},q^{},n`$ be three positive integers such that $`p^{}+q^{}1=n.`$ Define a permutation $`g_{p^{},q^{}}`$ on $`[0,n1]`$ by

$$g_{p^{},q^{}}(i)=\{\begin{array}{cc}i+p^{}\hfill & \text{if}i[0,q^{}2];\hfill \\ i+p^{}q^{}\hfill & \text{if}i=q^{}1;\hfill \\ iq^{}\hfill & \text{if}i[q^{},n1].\hfill \end{array}$$

We will adopt the convenient notation $`g`$ for $`g_{p^{},q^{}}`$ hereafter. $`g`$ is just another representation of the $`f`$ as defined in Theorem 1.1. Thus we have

###### Theorem 2.1

$`B(d,n)`$ and $`H(d^p^{},d^q^{},d)`$ are isomorphic if and only if $`g`$ is a cyclic permutation on $`[0,n1].`$

As we will see immediately, the form of $`g`$ is more suitable for an investigation of its cycle structure and the above trivial reformulation of Theorem 1.1 is indeed a key observation for us. Let $`\lambda =\mathrm{gcd}(p^{},q^{}).`$ For each $`i[0,n1],`$ write $`C_i`$ for the set $`\{j[0,n1]ji(mod\lambda )\}`$ and $`O_i`$ for the orbit of $`i`$ under the action of $`g.`$ We use $`S`$ for the cardinality of any finite set $`S.`$ The Kronecker Delta $`\delta _{i,j}`$ is defined as having value $`1`$ when $`i=j`$ and $`0`$ otherwise.

###### Theorem 2.2

$`g`$ has exactly $`\lambda `$ orbits. Indeed, the partition of $`[0,n1]`$ into orbits of $`g`$ is the same with its partition into congruence classes modulo $`\lambda ,`$ namely $`O_i=C_i`$, $`i[0,n1].`$

Proof. Clearly, it always holds $`g(i)i0(mod\lambda ).`$ This means $`O_iC_i`$ for all $`i[0,n1].`$ But $`[0,n1]`$ is a disjoint union of $`C_i`$ for $`iS=[0,\lambda 2]\{q^{}1\}.`$ Moreover, it is easy to see that $`C_i=\frac{n+1}{\lambda }\delta _{i,q^{}1}`$ for $`iS.`$ Thus our goal is just to verify that $`O_i\frac{n+1}{\lambda }\delta _{i,q^{}1}`$ for $`iS.`$

Take any $`iS.`$ Let $`\alpha _i=O_i[0,q^{}2],`$ $`\beta _i=O_i\{q^{}1\},`$ and $`\gamma _i=O_i[q^{},n1].`$ As $`O_i`$ is an orbit, we obtain $`0=_{jO_i}j_{jO_i}j=_{jO_i}(g(j)j)=\alpha _ip^{}+\beta _i(p^{}q^{})\gamma _iq^{}=(\alpha _i+\beta _i)p^{}(\beta _i+\gamma _i)q^{}.`$ Cancelling the common factor $`\lambda `$ of $`p^{}`$ and $`q^{}`$ yields $`(\alpha _i+\beta _i)\frac{p^{}}{\lambda }=(\beta _i+\gamma _i)\frac{q^{}}{\lambda }.`$ Since $`\mathrm{gcd}(p^{}/\lambda ,q^{}/\lambda )=1,`$ it follows that $`\alpha _i+\beta _i`$ is a multiple of $`q^{}/\lambda `$ and therefore $`q^{}/\lambda \alpha _i+\beta _i.`$ Similarly, we have $`p^{}/\lambda \beta _i+\gamma _i.`$ These two inequalities together implies that $`\alpha _i+\beta _i+\gamma _i\frac{p^{}+q^{}}{\lambda }\beta _i=\frac{n+1}{\lambda }\beta _i.`$ But it holds $`\alpha _i+\beta _i+\gamma _i=O_i.`$ Furthermore, we can derive from $`O_iC_i`$ that $`\beta _i=\delta _{i,q^{}1}.`$ So we have arrived at $`O_i\frac{n+1}{\lambda }\delta _{i,q^{}1},`$ as desired.

Notice that $`\mathrm{gcd}(p^{},q^{})=\mathrm{gcd}(p^{},p^{}+q^{})=\mathrm{gcd}(p^{},n+1)`$. Consequently, by Theorem 2.1 and Theorem 2.2, we can establish the following characterization of OTIS layouts of De Bruijn digraphs.

###### Theorem 2.3

For $`p^{}[0,n+1],`$ $`B(d,n)`$ and $`H(d^p^{},d^{n+1p^{}},d)`$ are isomorphic if and only if $`\mathrm{gcd}(p^{},n+1)=1.`$

## 3 LINE DIGRAPH

We remark that, assuming Conjecture 1.1, which holds trivially when $`d`$ is a prime, Theorem 1 tells us that there are totally $`\varphi (n+1)`$ different OTIS layouts for $`B(d,n),`$ where $`\varphi `$ is the Euler’s totient function. But is Conjecture 1.1 really true in general cases? As a prominent characteristic of De Bruijn digraphs is their iterated line digraph structure , we are naturally led to the study of those parameters $`p`$ and $`q,`$ such that for a fixed $`n,`$ $`H(p,q,d)`$ is an $`n`$th iterated line digraph. This line of research requires some preliminary results on characterizing iterated line digraphs. A classic result is Heuchenne’s characterization of line digraphs , proved about 40 years ago. Indeed, our subsequent work on characterizing OTIS layouts of line digraphs is just based on it. For possible later use in tackling the problem for general iterated line digraphs, instead of merely presenting Heuchenne’s characterization, we include here a characterization of iterated line digraphs, which generalizes Heuchenne’s result and an earlier generalization of it due to Beineke and Zamfirescu .

A digraph is said to satisfy the $`n`$th Heuchenne condition  if for any of its vertices $`u`$, $`v`$, $`w`$, and $`x`$ (not necessarily distinct) for which there exist $`n`$-walks from $`u`$ to $`w`$, from $`v`$ to $`w`$, and from $`v`$ to $`x`$, there must also exist an $`n`$-walk from $`u`$ to $`x.`$ Restricting our attention to the case of $`n=1,`$ the following theorem is just Heuchenne’s characterization.

###### Theorem 3.1

( Theorem 7) Let $`G`$ be a digraph without sinks or sources. Then $`G`$ is an $`n`$th line digraph if and only if the following conditions are satisfied:

1. There are no multiple $`n`$-walks between any pair of vertices;
2. $`G`$ satisfies both the $`(n1)`$th and the $`n`$th Heuchenne conditions.

We are in a position to prove our main results for the OTIS layouts of line digraphs. For $`j[id,id+d1],`$ we define $`\alpha (j)=i,`$ namely $`\alpha (j)=\frac{j}{d}.`$

###### Theorem 3.2

If $`d\mathrm{gcd}(p,q),`$ then $`H(p,q,d)`$ is a line digraph.

Proof. For any $`i[pq/d],`$ it can be uniquely expressed as $`i=(t,s)_{p,\frac{q}{d}}.`$ Let $`v_i`$ be the vertex of $`H(p,q,d)`$ corresponding to the interval $`M_i=[di,di+d1].`$ It is straightforward to check that $`M_i=\{(t,ds)_{p,q},\mathrm{},(t,ds+d1)_{p,q}\}.`$ Thus the out-neighbors of $`v_i`$ can be enumerated as $`v_{i_0},\mathrm{},v_{i_{d1}}`$ such that $`(q1ds,p1t)_{q,p}M_{i_0},\mathrm{},(q1(ds+d1),p1t)_{q,p}M_{i_{d1}}.`$ It follows that the out-neighbors of $`v_i`$ are just $`v_{\alpha ((q1ds,p1t)_{q,p})},\mathrm{},v_{\alpha ((q1(ds+d1),p1t)_{q,p})},`$ which turns out to be $`v_{(q1ds,\alpha (p1t))_{q,\frac{p}{d}}},\mathrm{},v_{(q1(ds+d1),\alpha (p1t))_{q,\frac{p}{d}}}.`$ Since these $`d`$ vertices are obviously pairwise different, $`H(p,q,d)`$ fulfils condition (I). Also, we see that for any two vertices $`v_i`$ and $`v_i^{}`$ with $`i=(t,s)_{p,\frac{q}{d}},`$ and $`i^{}=(t^{},s^{})_{p,\frac{q}{d}},`$ respectively, their out-neighbor set will be disjoint if $`ss^{}`$ or $`\alpha (p1t)\alpha (p1t^{}),`$ and will be identical otherwise. This shows that condition (II) holds as well. By Heuchenne’s characterization, this then completes the proof.

Interestingly, the converse of Theorem 3.2 is also true, which provides partial support to Conjecture 1.1. Recall that for a digraph $`G`$, its dual, written $`\stackrel{}{G},`$ is the digraph obtained from $`G`$ by reorienting each edge in the opposite direction as in $`G.`$

###### Theorem 3.3

If $`H(p,q,d)`$ is a line digraph, then $`\mathrm{gcd}(p,q)`$ is a multiple of $`d.`$

Proof. Clearly, it holds $`H(p,q,d)=\stackrel{}{H(q,p,d)}`$ and $`L(\stackrel{}{G})=\stackrel{}{L(G)}`$ for any digraph $`G.`$ Thus we only need to prove $`dp.`$ Let us fix some notation before proceeding. Hereafter, the digraph $`H(p,q,d)`$ is simply called $`H.`$ For any $`i,`$ we denote by $`I_i`$ the interval $`[\alpha ((i,0)_{p,q})d,\alpha ((i,0)_{p,q})d+d1]`$ and by $`v_i`$ the vertex of $`H`$ which corresponds to $`[id,id+d1].`$

We first claim that $`d\mathrm{min}(p,q).`$ Again, we only need to prove $`dp`$ due to the fact $`L(\stackrel{}{G})=\stackrel{}{L(G)}.`$ Seeking a contradiction, suppose that $`d>p.`$ Then, both $`(0,0)_{q,p}`$ and $`(1,0)_{q,p}`$ belong to $`[0,d1],`$ the interval corresponding to $`v_0.`$ But $`[pqd,pq1]`$ includes $`(p1,q1)_{p,q}`$ and $`(p1,q2)_{p,q},`$ which send links to $`(0,0)_{q,p}`$ and $`(1,0)_{q,p},`$ respectively. Hence there are multiple arcs from $`v_{\frac{pq}{d}1}`$ to $`v_0,`$ in violation of condition (I).

Next observe that condition (II) means that for the line digraph $`H`$ the relation $``$ of having a common out-neighbor is an equivalence relation on its vertex set. Because $`H`$ is $`d`$-regular, each equivalence class of $``$ has size $`d.`$ Moreover, since the vertices of $`H`$ correspond to pairwise disjoint intervals of length $`d,`$ the relation $``$ naturally extends to the equivalence relation $``$ on $`[0,pq1]`$ such that $`ij`$ if and only if $`v_{\alpha (i)}v_{\alpha (j)}.`$ Each equivalence class under $``$ has a size $`d`$ times as large as that of an equivalence class of $``$ and thus contains $`d^2`$ elements.

To finish the proof, suppose, on the contrary, that $`p`$ is not a multiple of $`d.`$ Note that $`pd`$ and $`dpq.`$ It immediately follows that $`p>d`$ and $`\alpha ((q1,0)_{q,p})=\alpha ((q2,p1)_{q,p}).`$ Because there are links from $`(p1,0)_{p,q}`$ to $`(q1,0)_{q,p}`$ and from $`(0,1)_{p,q}`$ to $`(q2,p1)_{q,p},`$ the latter formula tells us that

$$(p1,0)_{p,q}(0,1)_{p,q}.$$
(1)
Further notice that for each $`i[0,d1],`$ $`(i,0)_{p,q}`$ links to $`(q1,p1i)_{q,p},`$ which lies in the interval corresponding to the vertex $`v_{\frac{pq}{d}1}`$. Therefore, all the vertices $`v_{\alpha ((i,0)_{p,q})},i[0,d1],`$ are from a common $``$ equivalence class. Since the elements in the interval $`I_i`$ are evidently all $``$ equivalent to $`(i,0)_{p,q},`$ we find that $`_{i=0}^{d1}I_i`$ belongs to one $``$ equivalence class, say $`A`$. But the fact that $`dq`$ implies that $`I_iI_j=\mathrm{}`$ as long as $`ij.`$ Consequently, we deduce from $`A=d^2`$ that $`A=_{i=0}^{d1}I_i`$ and henceforth $`A=_{i=0}^{d1}I_i.`$ From $`p>d,`$ we see that $`I_{p1}A=\mathrm{}.`$ In particular, this gives $`(p1,0)_{p,q}A,`$ and hence $`(0,1)_{p,q}A,`$ in virtue of Eq. (1). This is impossible as we surely have $`(0,1)_{p,q}I_0A.`$ This is the end of the proof.

It is immediate from Theorem 3.3 that Conjecture 1.1 is true for $`n=1.`$ Hence, we know that there is a unique OTIS layout for $`B(d,1)=K_d^+.`$


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# Untitled Document

Introduction

Let us consider the initial-boundary problem for the Davey-Stewartson-II system of equations:

$$iu_t+u_{xx}u_{yy}=\gamma |u|^2u+\lambda u\phi _x,\phi _{xx}+\phi _{yy}=\mu (|u|^2)_x,(1)$$

$$u(x,y,t)|_{t=0}=u_0(x,y);\phi 0,x^2+y^2\mathrm{}.(2)$$

The Davey-Stewartson-II system of equations is the two-dimensional generalization of the usual nonlinear Schrodinger equation. Systems of the form (1) were first derived by Davey and Stewartson in the shallow-water limit for the surface waves in fluid, . Physical applications also include plasma physics and nonlinear optics. In the above $`u(x,y,t)`$ is the amplitude of a surface wave packet and $`\phi (x,y,t)`$ is the velocity potential of mean flow interacting with the surface wave. It is worth mentioning that some of Davey-Stewartson systems of equations are integrable, but many of them are not integrable. The existence and uniqueness results with respect to the initial data (in $`L_2,H^1,H^2`$) were recently obtained in the sufficiently wide classes of generalized solutions, . Our notice is centred on existence of classical solutions of the initial-boundary problem for the more generally Davey-Stewartson-II system of equations.

The existence and uniqueness theorems

Fourier transform with respect to spatial variables lies in the base of proof of solvability of the initial-boundary problem (1)-(2). By using this traditional approach to the proof of existence theorems, we may pass from the system of partial differential equations (1) to a single integral equation in terms of the Fourier transform $`\widehat{u}(k,m,t)`$ of $`u(x,y,t)`$:

$$\widehat{u}(k,m,t)=\widehat{u}_0(k,m)e^{i(m^2k^2)t}i_0^te^{i(k^2m^2)(\tau t)}L(\widehat{u}(k,m,\tau )e^{2i(k^2m^2)\tau })𝑑\tau .(3)$$

where the operator $`L`$ is defined by the following formula:

$$L(\widehat{u})=\gamma \widehat{u}\widehat{u}^{}\widehat{u}+\lambda \mu \widehat{u}[\frac{k^2}{k^2+m^2}(\widehat{u}\widehat{u}^{})].$$

Here the sign $``$ is a convolution with respect to $`(k,m)`$.

Theorem 1. Let $`u_0(x,y)H^p`$ provided $`p>1.`$ There exists a positive $`T>0`$ such that $`t[0,T]`$ the initial-boundary problem (1)-(2) has a unique solution such that: $`u,\phi C^1([0,T];H^p).`$

The basic idea of the proof is now to use a contraction mapping method in a suitable scale of Banach spaces. In these Banach spaces integral operator from (3) should be bounded and Lipschitzian. By analogy with , we introduce the scale of Banach spaces $`C([0,T];H^p)`$ of Fourier transforms $`\widehat{u}(k,m,t)`$, which are continuous with respect to $`(k,m),`$ $`t[0,T]`$ and decreasing at the infinity, with the following norms:

$$\widehat{v}(k,m,t)=\underset{t[0,T]}{sup}(1+|k|+|m|)^p\widehat{v}(k,m,t)_{L_2}.$$

In view of nonlinearity of $`L`$ operator, our Banach space must be an algebra with respect to the convolution operation. This problem was solved provided $`p>1`$. It turns out that in this case the convolution is a Lipschitzian operator in Sobolev space $`H^p`$. Then if we choose a suitable $`T`$ such that the integral operator from (3) would be contraction, the solvability of the equation (3), and so of the problem (1)-(2) follows from the Ovsjannikov’s results for the equations in Banach spaces, .

This result is directly applicable to the more general systems of equations in multidimensions. Namely, we consider the following initial-boundary problem for the system of partial differential equations:

$$i_tu+\omega (i_{x_1},\mathrm{},i_{x_n})u=g(u,u^{})+\overline{h}(u,u^{})\phi ,P\phi =\overline{f}(u,u^{}),(4)$$

$$u(x_1,\mathrm{},x_n,t)|_{t=0}=u_0(x_1,\mathrm{},x_n);\phi 0,x_1^2+\mathrm{}+x_n^2\mathrm{},(5)$$

where $`P`$ is a second-order differential operator with the constant coefficients and $`\omega (k_1,\mathrm{},k_n)`$ is a polinom with respect to $`k_1,\mathrm{},k_n.`$

Theorem 2. Let 1) functions $`\overline{f},g,\overline{h}`$ are analytical with respect to all arguments such that: $`\overline{f}(0,0)=g(0,0)=\overline{h}(0,0)=0;`$ 2) initial function $`u_0(x_1,\mathrm{},x_n)H^p`$ provided $`p>n/2`$. There exists a positive $`T>0`$ such that $`t[0,T]`$ the initial-boundary problem (4)-(5) has a unique solution such that: $`u,\phi (x_1,\mathrm{},x_n,t)C^1([0,T];H^p).`$

Literature

 Davey A., Stewartson K., On the three-dimensional packets of surfase waves, Proc.R.Soc.London, 1974, Vol.338, Ser.A, pp.101–110.

 Ghidaglia J.-M., Saut J.-C., On the initial value problem for the Davey-Stewartson systems Nonlinearity, 1990, Vol.3, pp.475–506.

 Vakulenko S.A., Justification of asymptotic formula for the perturbed Klein-Fock-Gordon equation, Zap.nauch.semin. LOMI, 1981, Vol.104, pp.84–92.

 Kalyakin L.A., Asymptotic collapse of one-dimensional wave packet in nonlinear dispersive medium, Mat.sbornik, 1987, Vol.132, No.4, pp.470–495.

 Ovsjannikov L.V. A nonlinear Cauchy problem in a scale of Banach spaces, Dokl.Akad.Nauk SSSR, 1971, Vol.200, No.4, pp.789–792.


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# Designing 𝜋–conjugated polymers with light emission in the infrared

## Abstract

There is currently a great need for solid state lasers that emit in the infrared. Whether or not conjugated polymers that emit in the IR can be synthesized is an interesting theoretical challenge. We show that emission in the IR can be achieved in designer polymers in which the effective Coulomb correlation is smaller than that in existing systems. We also show that the structural requirement for having small effective Coulomb correlations is that there exist transverse $`\pi `$–conjugation over a few bonds in addition to longitudinal conjugation with large conjugation lengths.

All light emitting $`\pi `$-conjugated polymers to date emit in the visible or UV. Telecommunications use infrared radiation, so lasing at these wavelengths is desirable. Within conventional theories of light emission from $`\pi `$-conjugated polymers, light emission in the IR from undoped $`\pi `$-conjugated polymers would be impossible. In this paper we point out the structural modifications that can lead to emission in the IR.

Linear polyenes and trans-polyacetylene (t-PA) are weakly emissive, because the lowest two-photon state, the 2Ag, occurs below the optical 1Bu. The optically pumped 1Bu decays to the 2Ag in ultrafast times, and radiative transition from the 2Ag to the ground state 1Ag is forbidden. Strong photoluminescence (PL) in systems like PPV and PPP implies E(2Ag) $`>`$ E(1Bu) (where E(…) is the energy of the state). This reversed excited state ordering can be understood by enhanced bond alternation within the effective linear chain model for PPV, PPP, etc. Soos . Since enhanced bond alternation necessarily increases E(1Bu), it appears that strong PL should be limited to systems with optical gaps larger than that of t-PA.

Our goal is to demonstrate theoretically that materials obtained by “site-substitution” of t-PA, in which the hydrogen atoms of t-PA are replaced with transverse conjugated groups of finite size will have small optical gaps and E(2Ag) $`>`$ E(1Bu). Systems obtained by such site-substitution consist of molecular units linked by a single longitudinal bond. With moderate e-e interactions, the ground state can be thought of as covalent (all atomic sites singly occupied). Optical excitation along the backbone chain involves inter-unit one-electron hops that generate C+ and C- ions on different units. These charges are delocalized over entire molecular units, leading to considerable decrease in the effective on-site Coulomb interaction $`U_{eff}`$. Smaller $`U_{eff}`$ can now give smaller E(1Bu) (relative to t-PA) and E(2Ag) $`>`$ E(1Bu).

Initial work along this direction by us was limited to poly-diphenylpolyacetylene (PDPA) Shukla ; Ghosh , in which the substituents are phenyl groups. PDPAs have short conjugation lengths Tada  and emit in the visible. Further, although we determined that E(2Ag) $`>`$ E(1Bu) in PDPA Shukla ; Ghosh , because of the complexity of its molecular structure, it is not ideal for illustrating a general theoretical principle. We consider here the simplest possible $`\pi `$-conjugated polymer with conjugated sidegroups, the hypothetical polymer shown in Fig. 1, in which the substituents are ethylenes. This simple structure allows more insight than more complicated ones.

We consider linear polyenes as well as oligomers of the structure in Fig. 1 within the dimerized Hubbard Hamiltonian,

$`H=H_{1e}+H_{ee}`$ (1)
$`H_{1e}={\displaystyle \underset{ij,\sigma }{}}t_{ij}c_{i,\sigma }^{}c_{j,\sigma }`$ (2)
$`H_{ee}=U{\displaystyle \underset{i}{}}n_{i,}n_{i,}`$ (3)
In the above, $`H_{1e}`$ describes one-electron nearest neighbor hops of electrons, and $`H_{ee}`$ is the electron-electron (e-e) interaction. We have used $`t_{ij}`$ = 2.2 eV and 2.6 eV for single and double bonds, respectively. For both the unsubstituted and the substituted polyene we increase $`U`$ from zero (where E(2Ag) $`>`$ E(1Bu)) and determine the critical $`U_c`$ at which E(2Ag) $`<`$ E(1Bu) occurs. A smaller $`U_{eff}`$ in the substituted polymer requires $`U_c`$(substituted) $`>`$ $`U_c`$(unsubstituted).

The complete Hamiltonian is way beyond our reach for more than two units of the substituted polyene of Fig. 1. We thererfore choose an appropriate minimal basis for the substituted system that allows many–body accurate calculations. Our approach is based on the exciton basis valence bond method Chandross , within which a linear polyene is considered as coupled ethylenic dimer units, and the polymer of Fig. 1 would be coupled hexatrienes. The basis functions are valence bond (VB) diagrams with bonds between the molecular orbitals (MOs) of the individual units. We write $`H_{1e}=H_{1e}^{intra}+H_{1e}^{inter}`$, where the two terms are the intra- and inter-unit part of $`H_{1e}`$. We solve $`H_{1e}^{intra}`$ exactly, and rewrite the Hamiltonian of Eq. (1) in terms of a new basis set that consists of the MOs of individual hexatriene units. The minimal basis set now consists of the HOMO and the LUMO of the molecular hexatriene unit. In Fig. 2 we have shown the one–electron energies of the MOs of hexatriene with their energies in eV. The relatively large energy gaps involving the higher antibonding MOs and lower bonding MOs partly justify the minimal basis. Furthermore, $`H_{ee}`$ within Eq.(1) creates only intraunit excitations Chandross , in contrast to the standard MO-based CI approaches, within which the Hubbard interaction is nonlocal, thereby making the choice of a minimal basis far more difficult within the standard approaches. Additional justification for the minimal basis will be presented later.

We give here a brief introduction to the exciton basis for polyenes Chandross . The fundamental zero, one and two-excitations for butadiene (two coupled ethylenes) are shown in Fig. 3. The leftmost diagram in Fig 3(a) is the “ground state” zero-excitation diagram, with all electrons in the bonding MOs of the two dimer units. Application of $`H_{inter}^{1e}`$ on this gives the two charge–transfer (CT) VB diagrams with singlet bonds between the bonding MO of one unit and the antibonding MO of the other unit (thus each arrow in Fig. 3 indicates one application of $`H_{inter}^{1e}`$), while a second application of $`H_{inter}^{1e}`$ generates the VB diagram with crossed bonds, the rightmost diagram in Fig. 3(a). The CT diagrams are coupled to intra-unit one-excitations by $`H_{inter}^{1e}`$, as is shown in Fig. 3(b), while the crossed VB diagram is a superposition of two other two-excitations with noncrossing singlet bonds, as is shown in Fig 3(c). The particular 2:1 superposition of these two VB diagrams is a triplet–triplet (TT) excitation, with two triplets on the two dimer units Chandross , as shown in Fig. 3(d). The diagrams in longer chains are similar to those shown in Fig. 3, – the only difference arises in the lengths of the interunit singlet bonds, which can be between nonnearest neighbor units in long chains. Furthermore, in the minimal basis (see Fig. 2), the same VB diagrams occur in the oligomer of Fig. 1 as in a linear polyene of the same length, the only difference arises from the fact that the expansions of the HOMO and the LUMO in the substituted polyene in terms of the atomic orbitals are different from that in the unsubstitbuted polyene, and hence the matrix elements of $`H_{ee}`$ and $`H_{inter}^{1e}`$ are different.

We performed exact numerical calculations for unsubstituted and minimal basis substituted polyenes with N = 4, 6 and 8 backbone carbon atoms and quadruple-CI (QCI) calculations for the N = 10 system to determine $`U_c`$ for each of these systems. QCI gives practically exact energies for the lowest eigenstates at these chain lengths Tavan ; FGuo . In Fig. 4 we have plotted the excitation energies E(1Bu) and E(2Ag) \[E(1Ag) = 0\] for the N = 10 cases. Note that not only is the E(1Bu) for the substituted system smaller, E(1Bu) in this case increases with $`U`$ much less rapidly than for the unsubstituted polyene. More importantly, the $`U_c`$ for the substituted system is larger than that for the unsubstituted polyene by more than 1 eV. The initial increase in E(2Ag) for the substituted polyene is real and has been seen previously in calculations for long polyenes Shuai , where it was found that the smaller the 2Ag – 1Bu gap at $`U`$ = 0, the more the tendency to initial increase of E(2Ag). This particular energy gap is obviously smaller in the substituted polyene.

Fig. 5 shows the difference $`\mathrm{\Delta }U_c`$ between the $`U_c`$ values for the substituted and the unsubstituted polyenes against 1/N. $`\mathrm{\Delta }U_c`$ increases modestly between N = 4 and 8, but then appears to saturate. The tendency to saturation in $`\mathrm{\Delta }U_c`$ is an indirect signature of the accuracy of the minimal basis calculations: since the number of levels being ignored in the incomplete CI calculations for the susbstituted cases increases with N, had the larger $`U_c`$ for the substituted polyenes been a consequence of incomplete CI, $`\mathrm{\Delta }U_c`$ would have increased continuously with increasing N.

In addition to calculations of energies, we have also done wavefunction analysis of the 1Bu and the 2Ag to verify that the effective on-site Coulomb correlation is smaller in the substituted polyene. While the 1Bu wavefunctions are very similar at fixed $`U`$, the 2Ag wavefunctions of the unsubstituted and the substituted polyenes are substantially different. For the specific case of $`U`$ = 6 eV in Fig. 4, the 2Ag of the polyene is composed almost entirely of TT two-excitations (see Fig. 3(d)), while the largest contributions to the 2Ag of the substituted polyene come from the CT one-excitations (see Figs. 3(a) and (b)) Dallakyan . Indeed, the 2Ag of the substituted polyene is very similar to the 2Ag of the unsubstituted polyene with large bond-alternation Chandross , for which also E(2Ag) $`>`$ E(1Bu). We thus see that at least within the minimal basis, the substituted polyene has a substantially smaller $`U_{eff}`$.

We now argue that complete CI, viz., going beyond the minimal basis of Fig. 2 will not alter the basic result that there exists a range of $`U`$ over which the E(2Ag) $`>`$ E(1Bu) in the substituted polyene but E(2Ag) $`<`$ E(1Bu) in the unsubstituted material. CI between the minimal basis TT exciton basis VB diagrams that have been retained in our calculations and higher energy TT diagrams that have been ignored can potentially lower the 2Ag energy in the substituted polyene. The higher energy TT diagrams are of two kinds, (i) TT excitations involving a single molecular unit, and (ii) those involving two units. We first discuss the role of type (i) TT excitations. In Fig. 6(a) - (d)we have shown four of the basis functions that dominate the molecular 2Ag state Hudson  (here the lowest three MOs are bonding, the higher three are antibonding). Diagram 6(a) is a superposition of one-excitations. Fig. 6(e) shows the CI between one of these diagrams and a minimal basis CT diagram. Such CI process can only raise the energy of the 2Ag; hence we discuss this no further. Diagram 6(b) has already been included in our minimal basis calculations. This leaves diagrams 6(c) and (d). These can have CI with the minimal basis TT diagrams only through two applications of $`H_{inter}^{1e}`$, as shown explicitly in Fig. 6(f) and (g). Thus the TT diagrams 6(c) and (d) do indeed give the minimal basis TT diagrams, and this suggests that in principle CI processes such as these can lower E(2Ag).

We point out, however, that the CI processes 6(f) and (g) are strictly local, i.e., molecular TT basis functions can be coupled only to minimal basis TT functions in which the two triplets occur on nearest neighbor units. Since in long chains there occur many more minimal basis TT diagrams with the triplets localized on distant units, it is clear that CI processes 6(f) and (g) become progressively unimportant with increasing chain length. Equally importantly, if the molecular unit is such that the molecular 2Ag is above the molecular 1Bu (this is the case with PDPA), then CI with molecular TT functions can only raise the energy of the polymeric 2Ag. Since the polymer of Fig. 1 is for the sake of illustration only, this information can be used to further modify the basic design of the desired polymer (for example, replacing the double bonds of the sidegroups with triplet bonds would continue to give low E(1Bu) but would increase E(2Ag)).

CI with higher energy TT diagrams of type (ii), can only increase E(2Ag). To demonstrate this, first consider a new restricted basis in which we retain the HOMO/LUMO (HOMO–1/LUMO+1) MOs of odd (even) units. This system is equivalent to an ordered copolymer in which alternate monomers have larger one–electron gaps than in ethylene (e.g., polydiacetylene), and has higher relative E(2Ag) than in t-PA. We can now visualize many similar systems, in which we retain various pairs of these four MOs on each unit. All such disordered copolymers also have higher E(2Ag). CI with type (ii) TT diagrams effectively includes matrix elements between Ag-type configurations within these new bases and the minimal basis Ag configurations, and will therefore only increase E(2Ag).

To summarize, transverse conjugation over a small number of bonds is one way to generate conjugated polymers with light emission in the IR. Excited state ordering conducive to light emission is a consequence of the reduction of the effective Hubbard repulsion due to delocalization over a molecular site. The system investigated here is the simplest example with this characteristic, but one can visualize many other such structures, including realistic materials like poly-isothianaphthene with a gap of 1.1 eV. We hope that our work will stimulate experimentalists to investigate derivatives of the latter or to synthesize new materials with the necessary structural features.

Work in Arizona was supported by NSF DMR-0101659, NSF ECS-0108696 and the ONR. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energys’s National Nuclear Security Administration under Contract DE-AC04-94AL85000.


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# Observation of Apparently Zero-Conductance States in Corbino Samples

(March 21, 2003)

## Abstract

Using Corbino samples we have observed oscillatory conductance in a high-mobility two-dimensional electron system subjected to crossed microwave and magnetic fields. On the strongest of the oscillation minima the conductance is found to be vanishingly small, possibly indicating an insulating state associated with these minima.

Following the discovery by Zudov et al zudovprb  of giant amplitude magnetoresistance oscillations in a two-dimensional electron system (2DES) subjected to crossed microwave (MW) and weak magnetic ($`B`$) fields, observations of exponentially small resistance states (ESRS) associated with the oscillation minima were reported mani ; zudovzrs . The emergence of ESRS at the oscillation minima strongly correlates with an increasing electron mobility in the 2DES firstzrs . The origin of the oscillations and the mechanism leading to ESRS are of considerable current theoretical interest phillips ; durst ; andreev ; anderson ; shi ; koulakov ; volkov ; mikhailov . Several models based on oscillatory density of states and negative d.c. response of the 2DES to a driving a.c. field are proposed durst ; andreev ; anderson ; shi , possibly providing a simple and physically transparent mechanism for the oscillations. The ESRS, it follows, are thought to result from an instability caused by the negative response and subsequent redistribution of electric currents andreev ; anderson . Other models consider either the electron orbital dynamics and the formation of a sliding charge-density wave phillips , or an interplay between the bulk and edge magnetoplasmon modes which could lead to oscillations mikhailov . A classical mechanism based on non-parabolicity of the electron dispersion is proposed in Ref. koulakov .

While the electronic d.c. transport in this regime is controlled by an a.c. MW field, the diagonal resistance measured in ESRS resembles remarkably that observed in the quantized Hall effect (QHE), a purely d.c. transport phenomenon pertaining to a strong magnetic field. It is well known tsuiprb82  that, in the QHE a vanishing resistivity, $`\rho _{xx}`$, is equivalent to a vanishing conductivity, $`\sigma _{xx}`$, and these two quantities relate to each other by

$$\sigma _{xx}=\frac{\rho _{xx}}{\rho _{xx}^2+\rho _{xy}^2}\rho _{xx}/\rho _{xy}^2=(n_ee/B)^2\rho _{xx},$$
(1)
where $`n_e`$ is the electron density. The vanishing conductivity in the QHE is taken as the evidence for an insulating state, and the rigidity of the state can be understood by the formation of an energy gap, either of single-electron origin (integer QHE) or of many-electron origin (fractional QHE).

We report on MW-induced vanishing d.c. *conductance* observed in Corbino samples of a high-mobility 2DES. The experiments demonstrate that, regardless of the presence of the MW fields, the conductance and resistance are invertible according to Eq. (1), up to a scaling factor; hence, the observed vanishing-conductance states (VCS) correspond to ESRS. Such observation from a topologically distinct sample could impose new constraint on theoretical models of ESRS.

Our samples were cleaved from a Al0.24Ga0.76As/ GaAs/Al0.24Ga0.76As quantum well (QW) wafer grown by molecular beam epitaxy. The width of the QW is 25 nm and the electrons are provided by Si $`\delta `$-doping layers 80 nm above and below the QW. After illumination by a red light-emitting diode at $`T1.5`$ K, the electron density, $`n_e`$, and mobility, $`\mu `$, reached $`3.55\times 10^{11}`$ cm-2 and $`12.8\times 10^6`$ cm2/Vs, respectively. The Corbino samples, with an inner diameter $`r_10.5`$ mm and an outer diameter $`r_23.0`$ mm, were made on a $``$4 mm$`\times `$4 mm square. Ohmic contacts were made of indium. To compare the conductance measurement with a resistance measurement, a $``$4 mm$`\times `$4 mm square sample was made with eight indium contacts along the perimeter. The measurements were performed in a sorption-pumped 3He cryostat equipped with a superconducting magnet; the magnetic field was calibrated using a low temperature Hall probe. The microwaves were generated by Gunn diodes and guided down to the sample via an oversized (WR-28) waveguide. The conductance or resistance traces were recorded employing a low-frequency (2.7 Hz) lock-in technique while the sample was immersed in 3He liquid and under continuous microwave illumination of fixed frequency, $`f`$, and power, $`P`$.

The diagonal conductance, $`G_{xx}=I/V`$, of the Corbino sample was obtained by measuring the current, $`I`$, passing through the 2DES, while applying a voltage, $`V`$, between the inner and outer contacts. Here $`x`$ denotes the direction along the radius. A typical bias of $`V1`$ mV was used for the measurements. The inset of Fig. 1(a) shows a schematic circuit of the measurement.

Without the MWs and while sweeping the magnetic field, the $`G_{xx}`$ trace shows sequentially, in Fig. 1(a), a Drude conductance around $`B=0`$, sharp Shubnikov–de Haas (SdH) oscillations at $`B1.5`$ kG, and vanishing conductance at the integer QHE (IQHE) minima at $`B10`$ kG. The trace is strictly symmetrical with respect to $`B=0`$, indicating that the recorded $`G_{xx}`$ is free of any mixture with the Hall conductance. Altogether, such standard d.c. magnetotransport data attests exceptional quality of the Corbino sample. We note that at this temperature a residual conductance in the IQHE remains measurable. Its value is typically $`5\times 10^7`$ S, which is $``$$`10^7`$ of the conductance at $`B=0`$ ($`G_{xx}(0)2.5`$ S, converted from mobility). Empirically we take this value as the lower limit for determining the MW-induced vanishing conductance, presented below.

Fig. 1(b) shows a $`G_{xx}`$ trace with MW illumination of $`f=57`$ GHz and with an incident power $`P10\mu `$W on the sample surface. Notice that the temperatures marked in both (a) and (b) are those measured in the 3He liquid. Strong MW-induced conductance oscillations up to 5 orders are observed. The peaks are marked by $`ϵ\omega /\omega _c=1,2,3,\mathrm{}`$, where $`\omega _c=eB/m^{}`$ is the cyclotron frequency, $`m^{}=0.068m_e`$ is the effective mass of the electron, and $`\omega =2\pi f`$.

Our central finding from such measurements, however, is the vanishing-conductance state observed at the strongest oscillation minimum, around $`B=\pm 1.05`$ kG. Such state spans a wide range of Landau level filling factor, $`\nu =n_eh/eB`$, from $`\nu 160`$ to $`\nu 120`$. At $`T=0.65`$ K, a residual conductance, $`G_{xx}2\times 10^5`$ S, was detected in the VCS regime, which is $``$$`10^5`$ of the conductance at $`B=0`$. Considering the geometric factor of the Corbino sample and assuming an uniform distribution of the electric current passing through the contacts, such conductance value corresponds to a residual conductivity $`e^2/h`$. Finite residual conductance has also been observed in the IQHE regime, which can be attributed to thermally activated conduction sds\_1993  or variable-range hopping conduction hopping . At this stage we are not able to rule out the possibility that the residual conductance of the VCS is caused by MW-induced parallel conduction. While the origin of the residual conductance remains to be clarified, it appears that the 2DES behaves like an insulator in the VCS regime.

In order to compare the MW-induced conductance oscillations with the resistance oscillations, we calculate a diagonal conductance, $`G_{xx}^{}`$, from a diagonal resistance, $`R_{xx}`$, measured on a square sample, using the inversion relation $`G_{xx}^{}R_{xx}/\rho _{xy}^2=(n_ee/B)^2R_{xx}`$. The parameter which can be directly compared between different samples is not the conductance but the conductivity. Since the conductivity is proportional to conductance with a factor depending on the sample dimensions, which are not accurately known, we can normalize the conductance to a specific point $`B_0`$ (e.g., the first maximum of the oscillations), and compare the normalized conductances $`g_{xx}`$ ($`G_{xx}(B)/G_{xx}(B_0)`$). Fig. 2 displays both the $`g_{xx}`$ measured from the Corbino sample and the $`g_{xx}^{}`$ converted from $`R_{xx}`$ measured on a square sample. The $`R_{xx}`$ of the square sample is also shown in Fig. 2, which was measured under the same conditions as the $`G_{xx}`$ ($`T=0.65`$ K, $`f=57`$ GHz, $`P10`$ $`\mu `$W). Slight asymmetry of the $`R_{xx}`$ with respect to $`B=0`$ might indicate a weak mixture of resistance tensor elements. Excellent agreement between the $`g_{xx}`$’s clearly demonstrates that, under MW illumination the d.c. conductance and resistance remain invertible up to a scaling factor.

In addition, we have measured the conductance at different MW frequencies (from 25.5 GHz to 130 GHz) but at roughly the same MW power $`P10\mu `$W (at the sample surface) and the same temperature $`T0.65`$ K. Selected conductance traces against the scaled magnetic field, $`1/ϵ=\omega _c/\omega `$, are shown in Fig. 3. Strong oscillations as well as the VCS are observed at all MW frequencies. Within experimental accuracy, no phase shift is observed for the major peaks ($`ϵ=1,2,3`$). We also notice a trend in which the strength of the oscillations, as measured by the peak height, is decreasing with increasing frequency. Such an observation can be qualitatively accounted for by the number of photons incident on the 2DES. Since the MW power is roughly the same, the number of photons is inversely proportional to the MW frequency, leading to a diminishing of the oscillations at higher $`f`$. For $`f<40`$ GHz, an additional maximum at $`1/ϵ2`$ is observed; an example can be seen on both positive and negative $`B`$ of the $`f=30`$ GHz trace. Such additional peaks have been previously seen in the ESRS experiments zudovzrs .

In conclusion, we have observed MW-induced vanishing-conductance states in a high-mobility 2DES of Corbino geometry. While the effect is driven by an a.c. field, the d.c. conductivity and the resistivity are found to be invertible using the standard d.c. transport tensor relation. The observation of the vanishing-conductance states opens an unique experimental window for further investigations, and could impose new constraint on theoretical models of ESRS.

We thank H. L. Stormer, R. L. Willett, H. W. Jiang, and S. Hill for valuable discussions on experiments. The work at the University of Utah was supported by a DARPA QUIST grant. T. A. K. and R. R. D. were also supported in part by DOE.


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# Multiple Molecular H2 Outflows in AFGL 618Based on observations collected at the Canada-France-Hawaii Telescope, operated by the National Research Council of Canada, the Centre National de la Recherche Scientifique de France, and the University of Hawaii.

## 1 Introduction

High velocity ($`100`$ km s-1) directed outflows play a dramatic role in the rapid evolution of stars from the asymptotic giant branch (AGB) to the planetary nebula (PN) phase. The outflows interact with the roughly spherical molecular envelopes ejected by the stars on the AGB, producing strong shocks that pierce and disrupt the circumstellar gas (e.g., Cox et al. 2000; Huggins et al. 2000). Observations of shock diagnostics in objects that have only recently left the AGB are therefore of considerable interest in constraining this crucial evolutionary phase.

AFGL 618 is a bipolar proto-planetary nebula (PPN), which evolved from the AGB about $`200\mathrm{yr}`$ ago (Kwok & Bignell 1984). It was first identified by Westbrook et al. (1975) and since then it has been extensively observed. The presence of high-velocity molecular gas has been reported extending over $``$250 km s-1 in H2 1 $``$ 0 S(1) (Burton & Geballe 1986; Kastner et al. 2001) and $``$400 km s-1 in CO (Cernicharo et al. 1989; Gammie et al. 1989). High velocities are also seen in optical lines (e.g., Carsenty & Solf 1982) and the outflows appear as spectacular jet features in the *HST* images published by Trammell & Goodrich (2002). In this *Letter*, we report high velocity resolution ($`9\mathrm{km}\mathrm{s}^1`$) spectro-imaging of AFGL 618 in the H2 1 $``$ 0 S(1) line that reveals the detailed structure and kinematics of the shocked molecular gas, and its relation to the optical jets.

## 2 Observations

The observations were made on October 6, 2000 using the *BEAR* Imaging FTS at the f/35 infrared focus of the 3.60-meter Canada-France-Hawaii Telescope. A detailed description of *BEAR* and the data reduction is given by Maillard (2000). The 256$`\times `$256 HgCdTe facility camera provides a circular field of view of 24′′ diameter, and the plate scale on the detector is 0$`\stackrel{}{\mathrm{.}}`$35/pixel. The seeing at 2 $`\mu \mathrm{m}`$ during the observations was typically 0$`\stackrel{}{\mathrm{.}}`$5. AFGL 618 was observed through a narrow band filter ($`47004750\mathrm{cm}^1`$) which includes the H2 1 $``$ 0 S(1) line at 4712.9 cm-1 (2.12 $`\mu \mathrm{m}`$). The raw data consist of a cube of 1150 planes with an integration time of 9 sec per image, an image being taken at each step of the interferometer. The maximum path difference corresponds to a resolution (FWHM) of 0.137 cm-1, i.e. 8.9 km s-1. A data cube of the star HD 162208 ($`\mathrm{m}_\mathrm{K}`$ = 7.11) was obtained for calibration. The 2 $`\mu \mathrm{m}`$ continuum emission of AFGL 618, which is found to be strongly peaked toward the center, has been subtracted from each plane of the cube. We have used the *HST* images and the J-band and H2 images of Ueta et al. (2001) to determine the co-ordinates of the *BEAR* data.

## 3 The Molecular Outflows

### 3.1 Overview of the H2 Emission

The velocity integrated image of AFGL 618 in the H2 1 $``$ 0 S(1) line is shown in Fig. 1, together with the *HST* image in H$`\alpha `$. The H2 emission is dominated by two bipolar lobes which are oriented at $`\mathrm{PA}104\mathrm{°}`$, and correspond to the jet system seen in the H$`\alpha `$ emission of the shocked-ionized gas.

The kinematic structure of the H2 emission is found to be complex, and we present different aspects of the data in Figs. 2–5. The top panel in Fig. 2 shows the H2 1 $``$ 0 S(1) spectrum of the whole nebula. The emission peaks at a velocity of $`34.5\pm 0.4`$ km s-1 (LSR), and shows broad wings extending from $`200`$ to +160 km s-1, in agreement with previous observations (e.g., Burton & Geballe 1986). The peak is blue-shifted relative to the systemic velocity measured in CO ($`21.8`$ km s-1, Cernicharo et al. 1989), probably because of extinction. At low expansion velocities, maps of the H2 are roughly symmetric about the center, but at higher velocities there is a clear blue/red separation to the east and west, respectively (Fig. 3). The nebula in H2 is therefore tilted to the line of sight toward us in the east, consistent with the optical appearance.

The strongest H2 emission lies $`2\mathrm{}`$ each side of the center near the systemic velocity, but the emission near these positions also extends to the highest velocities. This is seen in spectra at these two positions (Fig. 2, center), which also show steep sided profiles in the red and blue wings to the east and west, respectively. The relation of these spectra to the overall kinematics is seen in the position-velocity diagram along the nebula axis shown in Fig. 4 – see also Kastner et al. (2001).

### 3.2 Multiple Molecular Outflows

In addition to the main kinematic structure described above, a striking aspect of our data is the presence of localized, high-velocity features in the $`\mathrm{H}_2`$ emission which are associated with the optical jets seen in the H$`\alpha `$ image. Fig. 1 already suggests some relation between the $`\mathrm{H}_2`$ and H$`\alpha `$ emission, and this becomes evident in the $`\mathrm{H}_2`$ channel maps at the extreme red- and blue-shifted velocities (Fig. 3). At these high velocities, discrete structures trace the locations of individual optical jets seen in the underlying *HST* image. These features can be followed in the data cube in position and velocity, and delineate the interaction of the jets with the molecular envelope.

On account of the tilt of AFGL 618 to the line of sight and the high optical extinction toward the equatorial regions ($`A_V\mathrm{\hspace{0.17em}10}\mathrm{mag}.`$, e.g., Sánchez Contreras et al. 2002), there is less obscuration of the east lobe of the nebula. The optical jets are best seen on this side, and it is here that they show the clearest correspondence with the high velocity features seen in $`\mathrm{H}_2`$. The correspondence is less complete in the west lobe, probably in part due to the higher optical extinction near the center, but also as a result of real differences (e.g., high velocity $`\mathrm{H}_2`$ lies part way along jet a in Fig. 3, but not along the whole length) which could reflect the geometry and/or strength of the interactions.

Fig. 5 presents a sequence of channel maps that show the relation between the optical jets and the H2 in the east lobe in detail. The origin of the optical jets cannot be traced near the star due to extinction, but $`\mathrm{H}_2`$ at intermediate velocities ($`100`$ km s-1) is detected near the base of the jets where they diverge from the center. At successively higher velocities, the $`\mathrm{H}_2`$ develops into separate, localized, structures that follow individual optical jets. Four separate structures can be seen corresponding to all four jets identified by Trammel & Goodrich (2002) in the east lobe (*b*, *c*, *d*, and *e*). Jet *b* is traced out to $`163`$ km s-1. Jets *c* and *e* appear to be connected, with jet *c* terminating at $``$163 km s-1, and the associated jet *e* with an additional component extending to $`178`$ km s-1. The highest velocities ($`200`$ km s-1) are associated with jet *d*, which is short and protrudes near the base of the jet system.

Three features of the observations provide further information on the relation of the jets to the molecular emission. First, although the $`\mathrm{H}_2`$ emission is not well spatially resolved across the jets, it is resolved along the extended jets *b* and *c*+*e*, and shows a velocity gradient, increasing away from the center. Second, unlike the $`\mathrm{H}\alpha `$, the $`\mathrm{H}_2`$ emission is not strongly peaked at the head of the optical jets but extends downstream toward the star. Third, the $`\mathrm{H}_2`$ line widths observed near the heads of the jets are narrow ($`30`$ km s-1) compared with the bulk velocity of the gas relative to the systemic velocity (Fig. 2, bottom panel).

## 4 Discussion

### 4.1 Geometry of the Outflows

The overall distribution and kinematics of the $`\mathrm{H}_2`$ suggests that the main emission arises in roughly formed, biconical cavities, consistent with the overall picture inferred from optical images. The steep-sided spectra (Fig. 2) and the sudden change from red- to blue-shifted gas near the systemic velocity (Fig. 3 & 4) indicate that the far side of the approaching (east) lobe and the near side of the receding (west) lobe lie close to the plane of the sky. The highest velocity gas then arises near the center, in the sides of the lobes that lie closest to the line of sight.

The east-west (blue-red) tilt of the optical jets (e.g., Sánchez Contreras et al. 2002) which form the lobes, and the angles of individual jets with respect to the line of sight estimated by Trammel & Goodrich (2002) (51°, 31°, and 54° for jets *b*, *c*, and *d*, respectively) are consistent with this general picture, although the short projected length of jet *d*, and the very high velocity that we observe in $`\mathrm{H}_2`$ suggest that it may be the closest to the line of sight. Given the short lifetime for optical emission from the jets (a few years, e.g., Sánchez-Contreras et al. 2002) compared to their dynamical time scales of $`200`$ yr (see § 4.2), there could also be a history of outflows which partially excavated the biconical cavities in addition to those currently seen in the *HST* image.

### 4.2 Jet Interactions

Our observations cast light on the long-standing problem of the origin of the very high velocity H2 emission in AFGL 618 (e.g., Burton & Geballe 1986; Hartquist & Dyson 1987). Figs. 3 and 5 show that the emission arises from the interaction of jets with the circumstellar gas. The presence of $`\mathrm{H}_2`$ emission along the length of the optical jet structures is consistent with a class of models in which the ambient gas is shocked and dragged along with the jet through prompt or steady entrainment (e.g., Hartigan et al. 1996); similar cases are seen in the outflows around young stellar objects (e.g., Bachiller 1996). The kinematics that we observe place valuable constraints on such a picture. The $`\mathrm{H}_2`$ line widths near the heads of the jets ($`30`$ km s-1) set upper limits on the turbulence which is believed to play a key role in the entrainment process. On the other hand, the bulk velocity of the molecular gas is extremely high. For example, the observed radial velocity of the $`\mathrm{H}_2`$ just behind the head of jet *b* is $`140`$ km s-1 (relative to the systemic velocity); if the inclination to the line of sight is $`51\mathrm{°}`$ (see above), the actual velocity is $`220`$ km s-1, and if the angle of inclination is $`66\mathrm{°}`$ (Sánchez Contreras et al. 2002) the velocity is 340 km s-1. For an adopted distance of 1.5 kpc to AFGL 618, the dynamical timescale of the jet is $`200`$ yr.

The velocities are much too large for the molecular gas to survive acceleration in a single shock, for which the maximum velocity is $`45`$ km s-1 (Draine, Roberge, & Dalgarno 1983). However, it is possible for the molecules to reform in the post-shock gas (e.g., Hollenbach & McKee 1989; Neufeld & Dalgarno 1989) although models of high velocity bow shocks including molecule reformation have not yet been developed.

It is striking that the H2 velocities that we observe are significantly higher than those indicated by observations of optical lines. The interpretation of optical line ratios at the heads of the jets using shock models yields shock velocities of only 40–100 km s-1 (Trammell & Goodrich 2002). The observed radial velocities in optical lines at the head of jet *b* are $`80`$ km s-1 (Sánchez Contreras et al. 2002), and when corrected for an inclination of 51°–66° (see above) give values of $`130`$–200 km s-1, the latter similar to shock velocities estimated from the optical line widths (Sánchez Contreras et al. 2002). However, independent of the inclination angle, the observed $`\mathrm{H}_2`$ velocity in jet *b* is a factor of $`1.8`$ higher than the optical lines at the head.

If the H2 emission that we observe is shocked excited circumstellar gas, as seems most likely, then the high velocities that we observe suggest an even higher velocity, collimated driving wind. In addition, the differences between the H2 and optical line velocities indicate a range in shock conditions, which is not unlikely given the small scale structure seen in the H$`\alpha `$ image. A possible, alternative scenario for the origin of the high velocity molecular gas in one in which the molecules are entrained or formed in the outflows close to their source, so are already present at high velocity and are excited by interactions with the ambient gas in the regions observed. Spectro-imaging of the optical lines with both higher spectral and spatial resolution than are currently available will be important to further study these issues.

### 4.3 Evolution of the Nebula

The H2 observations reported here trace the detailed structure and kinematics of the molecular outflows in AFGL 618 which are also seen at lower angular resolution in other probes of the molecular gas. The full H2 spectrum shown in Fig. 2 resembles that of the CO lines (e.g., Cernicharo et al. 1989), and the shift from blue to red in going from the east to the west side of the nebula (Fig. 3) is also seen in millimeter molecular maps (e.g., Neri et al. 1992; Hajian et al. 1996; Meixner et al. 1998). However, the CO bullets reported by Ueta et al. (2001) at high negative velocities on the west side of the nebula are at variance with the overall kinematics reported here, and are probably not real.

The present observations provide evidence that the high velocity H2 outflows in AFGL 618 are the result of the interaction of jets with the circumstellar envelope. Similar examples of this type of interaction at different stages of development are seen in AFGL 2688 (Cox et al. 2000), M1-16 (Huggins et al. 2000), and NGC 7027 (Cox et al. 2002). All these cases support a view in which the geometry of the circumstellar gas around a newly forming PN is largely determined by the action of the jets, and plays a key role in determining the morphology of the fully formed PN.

We thank S. Trammell for providing a copy of the *HST* H$`\alpha `$ image. We also thank A. Abergel, T. Ueta, and G. Pineau des Forêts for useful discussions, and an anonymous referee for helpful comments. This work has been supported in part by NSF grant AST-9986159 and a visiting professorship at the Université de Paris-Sud (to P.J.H.).