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# Examples of amenable Kac system

## Abstract

By giving an interesting characterisation of amenable multiplicative unitaries, we show in a simple way that bicrossproducts of amenable locally compact groups is both amenable and coamenable.

1991 AMS Mathematics Classification number: Primary: 46L05, 46L55

Amenability of Kac algebras has been studied in . In , amenability of regular multiplicative unitaries was also defined. Recently, we studied in  and  amenable Hopf $`C^{}`$-algebras and amenable Kac algebras. However, there wasn’t any non-trivial examples of amenable Kac algebras explicitly stated in any literature so far.

In this note, we will give a simple proof for the following expected statement (we do not know if another proof for this statement is already known – note that the “reduced algebra” of the bicrossproduct is the reduced crossed product, one would imagine the “full algebra” to be the full crossed product but it seems not clear to us whether this is true): in the construction of the “bicrossproduct” (in \[2, §1\]) of two locally compact groups, if one of the groups is amenable, then the “bicrossproduct” is amenable (or coamenable – depended on the convention). In fact, we prove this by using a simple but seeming powerful characterisation for amenable multiplicative unitaries (Proposition 3).

Let us first recall from \[6, 2.1 & 2.2(b)\] as well as \[1, A.13(c)\] the following definitions.

###### Definition 1

(a) Let $`V`$ be a multiplicative unitary on $`H`$ (in the sense of \[1, 1.1\]). Then $`V`$ is called a $`C^{}`$-multiplicative unitary if for any representation $`X`$ and co-representation $`Y`$ of $`V`$ (see \[1, A.1\]), the sets $`\widehat{S}_X=\overline{\{(\mathrm{id}\omega )(X):\omega (H)_{}\}}`$ and $`S_Y=\overline{\{(\omega \mathrm{id})(Y):\omega (H)_{}\}}`$ are $`C^{}`$-algebras such that $`XM(\widehat{S}_XS_V)`$ and $`YM(\widehat{S}_VS_Y)`$. (Recall that in this case, $`S_V`$ and $`\widehat{S}_V`$ are Hopf $`C^{}`$-algebras with coproducts $`\delta `$ and $`\widehat{\delta }`$ defined by the formulas in \[1, 3.8\].)

(b) Let $`V`$ be a $`C^{}`$-multiplicative unitary. For any $`C^{}`$-algebra $`A`$, a unitary $`UM(AS_V)`$ is called a unitary corepresentation if $`(\mathrm{id}\delta )(U)=U_{12}U_{13}`$ (recall that unitary corepresentations of $`S_V`$ corresponds directly to representations of $`V`$). Moreover, there exists an universal object $`(\widehat{S}_p,V^{})`$ for unitary corepresentations of $`S`$ in the sense that $`\widehat{S}_p`$ is a Hopf $`C^{}`$-algebra and $`V^{}M(\widehat{S}_pS_V)`$ is a unitary corepresentation of $`S_V`$ such that for any unitary corepresentation $`X`$ of $`S_V`$, there exists a canonical surjective $``$-homomorphism $`\pi _X`$ from $`\widehat{S}_p`$ to $`\widehat{S}_X`$ such that $`X=(\pi _X\mathrm{id})(V^{})`$.

(c) A $`C^{}`$-multiplicative unitary $`V`$ is said to be amenable if the trivial representation $`\pi _1`$ is weakly contained in $`\pi _V`$. On the other hand, $`V`$ is called coamenable if $`\mathrm{\Sigma }V^{}\mathrm{\Sigma }`$ is amenable.

Any regular or semi-regular and balanced or manageable multiplicative unitary is a $`C^{}`$-multiplicative unitary. Note that part (c) is only one of the many equivalent formulations for amenability (see e.g.  for some of them or  for more of them in the case of Kac algebras).

To prove the main theorem, we need Proposition 3 which is a partial generalisation of \[9, 4.8(XII)\] (in the sense that we only concern with one dimensional representations instead of finite dimensional ones). Note that this proposition implies that the amenability of a $`C^{}`$-multiplicative unitary $`V`$ depends solely on the $`C^{}`$-algebraic structure of $`\widehat{S}_V`$. The proof of the proposition require the following lemma which itself follows from \[8, 5.5\] (note that if $`L`$ is the canonical representation of $`S`$ on $`(H)`$, then $`(L,\pi _V)`$ is a $`V^{}`$-covariant representation in the sense of \[8, 4.1\]).

###### Lemma 2

Let $`V`$ be a $`C^{}`$-multiplicative unitary on a Hilbert space $`H`$. Suppose that $`\stackrel{~}{\pi }_V`$ is the extension of $`\pi _V`$ to $`\widehat{S}_p^{}`$ (considered as a representation on $`(H)`$) and $`e`$ is the support projection of $`\stackrel{~}{\pi }_V`$. Then $`\widehat{\delta }_p^{}(e)e1`$ (where $`\widehat{\delta }_p`$ is the coproduct on $`\widehat{S}_p`$).

###### Proposition 3

Suppose that $`V`$ is a $`C^{}`$-multiplicative unitary on $`H`$. Then $`V`$ is amenable if and only if $`\widehat{S}_V`$ has an one dimensional representation.

Proof: Since the amenability of $`V`$ will imply the existence of a counit for $`\widehat{S}_V`$ (see e.g. \[7, 3.5\]), we need only to show the converse. Suppose that $`\psi `$ is an one dimensional representation of $`\widehat{S}_V`$. Then $`U=(\psi \mathrm{id})(V)M(S_V)`$ is a unitary corepresentation of $`S_V`$. This means that $`U`$ is a group-like element in $`M(S_V)`$ and $`\pi _U=\psi \pi _V`$. Moreover, $`U^{}`$ is again a group-like unitary and hence a unitary corepresentation of $`S_V`$ on $``$ (or equivalently, a representation of $`V`$ on $``$). Now $`(\psi \pi _V\pi _U^{})\widehat{\delta }_p=(\pi _U\pi _U^{})\widehat{\delta }_p=\pi _{UU^{}}=\pi _1`$. Using the argument of \[9, 3.6\], we see that $`\mathrm{ker}\pi _V\mathrm{ker}(\pi _V\mathrm{id})\widehat{\delta }_p`$. For the benefit of the readers, we repeat the simple argument here. Note that $`\mathrm{ker}\pi _V=(1e)\widehat{S}_p^{}\widehat{S}_p`$ and so $`x=(1e)x`$ for any $`x\mathrm{ker}\pi _V`$. This, together with $`(e1)\widehat{\delta }_p^{}(1e)=0`$ (given by Lemma 2), implies that

$`(\pi _V\mathrm{id})\widehat{\delta }_p(x)`$ $`=`$ $`(\stackrel{~}{\pi }_V\mathrm{id})\widehat{\delta }_p^{}(x)`$
$`=`$ $`(\stackrel{~}{\pi }_V\mathrm{id})\widehat{\delta }_p^{}((1e)x)=(\stackrel{~}{\pi }_V\mathrm{id})((e1)\widehat{\delta }_p^{}((1e)x))=0.`$
Hence $`\mathrm{ker}\pi _V\mathrm{ker}(\psi \pi _U^{})(\pi _V\mathrm{id})\widehat{\delta }_p=\mathrm{ker}\pi _1`$. In other words, $`\pi _1`$ is weakly contained in $`\pi _V`$.

In the case of Kac algebras, we can obtain this proposition by an even simpler proof (without the need of Lemma 2 nor the argument of \[9, 3.6\]) because $`\pi _U^{}=\psi \widehat{\kappa }\pi _V`$.

From now on, $`G`$ is a locally compact group and $`G_1`$ and $`G_2`$ are two closed subgroups of $`G`$ such that the map $`\phi :G_1\times G_2G`$ given by $`\phi (r,g)=rg`$ is a homeomorphism from $`G_1\times G_2`$ onto an open dense subset $`\mathrm{\Omega }`$ of $`G`$ (see \[2, §1\]). Consider the canonical actions $`\alpha `$ and $`\beta `$ of $`G_1`$ and $`G_2`$ on $`G_1G`$ and $`G/G_2`$ respectively. Note that both $`\alpha `$ and $`\beta `$ acts by automorphisms. Let $`V`$ be the semi-regular irreducible multiplicative unitary as in \[2, 1.1\].

###### Theorem 4

With the notation as in the above paragraph, if $`G_1`$ (respectively, $`G_2`$) is amenable, then $`V`$ is amenable (respectively, coamenable).

Proof: By \[2, 1.1(c)\], we know that $`\widehat{S}_V`$ is isomorphic to the reduced crossed product $`C_0(G_1G)\times _{\alpha ,r}G_1`$. Therefore, using Proposition 3, it suffices to show that $`C_0(G_1G)\times _{\alpha ,r}G_1`$ has an one dimensional representation. Let $`\varphi `$ be the one dimensional representation on $`C_0(G_1G)`$ given by the evaluation at the coset $`[e]=G_1`$. Let $`\pi `$ be trivial representation of $`G_1`$ (in fact, we can take any one dimensional representation). We note that $`(\varphi ,\pi )`$ is a covariant representation for $`\alpha `$. Indeed, for any $`fC_0(G_1G)`$, we have $`\varphi (\alpha _s(f))=f(\alpha _{s^1}([e]))=f([e])=\varphi (f)=\pi (s)\varphi (f)\pi (s)^{}`$. Hence, we obtained an one dimensional representation for the full crossed product $`C_0(G_1G)\times _{\alpha ,\mathrm{max}}G_1`$ which is identical with the reduced crossed product $`C_0(G_1G)\times _{\alpha ,\mathrm{r}}G_1`$ (as $`G_1`$ is amenable).

Note that $`\mathrm{\Omega }=G`$ if and only if $`G_1G/G_2`$ and $`G_2G_1G`$ under the canonical maps. In this case, the actions $`\alpha `$ and $`\beta `$ are given by the commutation rule: $`gr=\beta _g(r)\alpha _r(g)`$ (that comes from the bijectivity of $`\phi `$; see \[1, §8\]). Moreover, $`\alpha `$ and $`\beta `$ satisfy the conditions for matching pairs in  (except those concerning the Radon-Nikodym derivatives). Recall that in this case, $`G`$ is the bicrossproduct group as defined in \[10, §2\]. Note that the bicrossproduct group can only be defined for a matching pair with $`\alpha _e`$ and $`\beta _e`$ being the identity maps (the formula for the inverse in \[10, pp.255\] requires such conditions) or equivalently, $`\alpha `$ and $`\beta `$ act by automorphisms.

On the other hand, in this case, $`(L^2(G),V,U)`$ (where $`U`$ is the unitary as in \[2, 1.1(b)\]) is the Kac system bicrossproduct of $`(L^2(G_1),X,u)`$ (the canonical Kac system of $`G_1`$ as given in \[1, 6.11(b)\]) and $`(L^2(G_2),Y,v)`$ relative to $`Z`$ (see \[1, 8.13, 8.15 & 8.21\]). Therefore, Theorem 4 applies to Kac system bicrossproducts of locally compact groups (as defined in \[1, §8\]). If, in addition, $`\alpha `$ and $`\beta `$ in the above paragraph satisfy the conditions for the Radon-Nikodym derivatives in , this Kac system actually comes from a Kac algebra which is also amenable and coamenable.

Department of Pure Mathematics, The Queen’s University of Belfast, Belfast BT7 1NN, United Kingdom.

E-mail address: c.k.ng@qub.ac.uk


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# ASCA Observation of an X-Ray-Luminous Active Nucleus in Markarian 231

## 1 Introduction

Sixteen years ago, the IRAS all-sky survey revealed the existence of a class of objects which emit nearly all of their energy at far-infrared wavelengths (Soifer et al. 1984). At the high-luminosity end of the distribution, $`L_{IR}10^{12}L_{}`$, the so-called “ultraluminous infrared galaxies” (ULIRGs), the space density of such objects is approximately twice that of optically-selected QSOs, the only objects with comparable bolometric luminosities (Sanders & Mirabel 1996). The far-infrared energy distributions of the prototype objects, Arp 220 and NGC 6240, are very similar to that of the classic starburst galaxy M82, peaking at $`\lambda 60\mu `$m, and do not exhibit the “warm” IRAS colors typical of Seyfert galaxies (DeGrijp et al. 1992). A large fraction of the ultraluminous galaxies show evidence for interaction or merging with a companion galaxy (Sanders et al. 1988; Melnick & Mirabel 1990), and most show luminous molecular line emission, indicating substantial quantities of molecular gas, which could potentially fuel either a burst of star formation or an AGN (e.g., Sanders & Mirabel 1996, and references therein).

Ever since the discovery of this class of galaxies debate has raged over the nature of the dominant source of energy. The failure to detect any of the ULIRGs at X-ray wavelengths with HEAO-1 (Rieke 1988) strengthened a starburst interpretation, as did the recent failure of the OSSE instrument on the GRO to detect Arp 220, Mrk 231, or Mrk 273 in the $`50200`$ keV energy range (Dermer et al. 1997); this rules out very luminous Compton-thin sources in these galaxies. Most recently, observations of a number of ULIRGs with the short-wavelength (SWS) spectrometer on the Infrared Space Observatory failed to detect any high-excitation lines in the mid-infrared, as might be expected from even a dust-shrouded AGN (Sturm et al. 1996; Genzel et al. 1998), and this has been taken to be evidence for starbursts rather than AGN. However, it is now clear that in many ULIRGs the column densities toward the nucleus are so high that the dust optical depth is greater than unity even in the mid-IR. Furthermore, the discovery of Compton-thick X-ray sources in a number of ULIRGs, notably including NGC 6240 (Iwasawa & Comastri 1998; Vignati et al. 1999), substantially weakens the argument against AGN-dominated sources based on hard X-ray non-detections. Such sources, in which even hard X-rays are seen only through reflection, are characterized by a relatively flat continuum above $`E3`$ keV and very large equivalent widths of the iron $`K\alpha `$ line, exceeding 1 keV (e.g., Krolik & Kallman 1987; Krolik, Madau & Życki 1994; Matt, Brandt, & Fabian 1996). Such large equivalent widths can be produced only if the X-ray continuum incident on the line-emitting region is much larger than that which we observe. If the reflected fraction in NGC 6240 is similar to that in NGC 1068, the bolometric luminosity of the AGN is of order $`10^{45}`$ erg s-1, and dominates the far-infrared output of the galaxy.

Foremost among the local ULIRGs is Markarian 231 ($`z=0.042`$) , which is the most luminous object in the local universe ($`z<0.1`$) (Soifer et al. 1984). Its bolometric luminosity is $`L_{bol}3\times 10^{12}L_{}`$ ($`H_o=75`$ km s-1 Mpc-1), nearly all of which emerges in the far-infrared. Although classified as a Seyfert 1, Mrk 231 shows evidence for substantial amounts of reddening ($`A_V2`$: Boksenberg et al. 1977) and when corrected for extinction its optical luminosity approaches quasar levels. Furthermore, Mrk 231 exhibits many features characteristic of (low ionization) Broad Absorption Line (BAL) QSOs: high optical polarization ($`20\%`$ at 2800Å, Smith et al. 1995), strong Fe II emission (extremely strong in Mrk 231) (Boksenberg et al. 1977), red optical colors, and a large IR/optical flux ratio. ASCA and ROSAT observations of Mrk 231, analyzed by Iwasawa (1999) and Turner (1999), revealed an extended, soft X-ray component, with a luminosity $`L10^{42}\mathrm{erg}\mathrm{s}^1`$, and a hard component exhibiting considerable absorption, with a 2-10 keV luminosity of only $`L2\times 10^{42}\mathrm{erg}\mathrm{s}^1`$. If this is the intrinsic X-ray luminosity, then an AGN is unlikely to dominate the energetics unless Mrk 231 is X-ray-quiet. However, the signal-to-noise of the ASCA spectrum was too low to determine whether the observed X-ray emission is largely reflected, in which case the true X-ray luminosity could be much higher.

In this letter, we present an analysis of a much deeper ASCA observation of Mrk 231 than that presented by Iwasawa. We find strong evidence for a powerful, buried AGN in this ULIRG which we observe only through reflection and scattering. Indeed, we show that the AGN in Mrk231 may well be the dominant energy source.

## 2 Observation and Data Reduction

Mrk 231 was observed by ASCA on 1999-Nov-10. The SIS data were cleaned in order to remove the effects of hot and flickering pixels and subjected to the following data-selection criteria : i) the satellite should not be in the South Atlantic Anomaly (SAA), ii) the object should be at least 7 degrees above the Earth’s limb, iii) the object should be at least 25 degrees above the day-time Earth limb, and iv) the local geomagnetic cut-off rigidity (COR) should be greater than 6 GeV/c. We also applied a standard grade selection on SIS events in order to further minimize particle background. The GIS data were cleaned to remove the particle background and subjected to the following data-selection criteria : i) the satellite should not be in the SAA, ii) the object should be at least 7 degrees above the Earth’s limb and iii) the COR should be greater than 7 GeV/c. After these data selection criteria were applied, there are 96.3 ksec of good data per SIS detector and 99.2 ksec of good data per GIS detector.

Full-band images were extracted from each of the four ASCA detectors. Two point-like X-ray sources were found in the SIS image separated by 2 arcmin, with the dominant source (containing about 75% of the counts) coincident with Mrk 231. The GIS has insufficient spatial resolution to distinguish these sources. We extracted the SIS spectrum of each source and found them to have very similar shapes. Given that the fainter source does not dominate at any energy, and that detailed spectroscopy on these small scales is difficult due to the energy-dependent point spread function of ASCA, we chose to extract and analyze the combined spectrum of these sources (which is dominated by Mrk 231).

Source photons were extracted from a circular region centered on the two sources with radii of 3 arcmin and 4 arcmin for the SIS and GIS respectively. Background spectra were obtained from blank regions of the same field (using the same chip in the case of the SIS). No temporal variability was observed. In order to facilitate $`\chi ^2`$ spectral fitting, all spectra were rebinned so as to contain at least 20 photons per spectral bin. In order to avoid poorly calibrated regions of the spectrum, the energy ranges considered were 1.0–10 keV for the SIS detectors, and 0.8–10 keV for the GIS detectors. Note that we use a lower-energy cutoff for the SIS that is considerably higher than the ‘standard’ 0.6 keV cutoff in order to avoid the effects of “residual dark current distribution”, or RDD, which is known to plague recent ASCA observations.

## 3 Spectral Analysis

Iwasawa (1999) finds evidence for soft X-ray emission from thermal plasma and measures a temperature of $`kT=0.98_{0.09}^{+0.51}\mathrm{keV}`$ and an abundance of $`Z=0.08_{0.05}^{+0.20}Z_{}`$. Since we deem our soft ($`E<1\mathrm{keV}`$) SIS data to be unusable, we cannot constrain the nature of the thermal plasma component. Therefore, in all that follows, we constrain the parameters of the thermal component ($`kT`$ and $`Z`$) to the 90% error range found by Iwasawa.

Guided by Iwasawa (1999), we initially fit our SIS & GIS spectrum (Figure 1) with a model consisting of this thermal component and a power-law tail with photon index $`\mathrm{\Gamma }`$ (representing the AGN emission), all absorbed by the Galactic column of $`N_\mathrm{H}=1.26\times 10^{20}\mathrm{cm}^2`$. Although this spectral model produced an adequate goodness of fit ($`\chi ^2/\mathrm{dof}=304/305`$), the resulting photon index was extremely flat ($`\mathrm{\Gamma }=0.69\pm 0.12`$). In particular, it is much flatter than the intrinsic spectrum of any known AGN (which usually have $`\mathrm{\Gamma }=1.52.2`$). Adding intrinsic absorption to the power-law component increases the permitted photon index by $`\mathrm{\Delta }\mathrm{\Gamma }0.4`$ (with $`\mathrm{\Delta }\chi ^2=7`$ for 1 new parameter) — insufficient to bring $`\mathrm{\Gamma }`$ into the acceptable AGN range.

Since this AGN is likely to be highly obscured, we also examined classes of models in which the central power-law is completely absorbed by a Compton-thick screen, and is only seen via scattering and Compton reflection. In practice, we used the pexrav models within the xspec package, interpreting finite reflection fractions as representing mixed reflection/scattering (i.e., scattering of non-reflected as well as reflected continuum into our line of sight). A model consisting of this reflected/scattered component and the thermal plasma produced a good fit ($`\chi ^2/\mathrm{dof}=284/304`$) and implied a reflection-dominated spectrum (with the reflection fraction $`>5800`$). However, the implied intrinsic power-law was much steeper ($`\mathrm{\Gamma }=3.01_{0.28}^{+0.12}`$) than the normal AGN range.

Physically acceptable results are produced when absorption of the reflected/scattered component is included. While this absorption is not statistically required, including a column of $`N_\mathrm{H}3\times 10^{22}\mathrm{cm}^2`$ extends the range of allowable photon indices into the typical AGN range. In order to better constrain the fits, we hereafter assume that the hard X-ray photon index of the source is typical of radio-quiet AGN, $`\mathrm{\Gamma }=1.8`$. We also include a narrow iron K$`\alpha `$ emission line of cold iron which is expected to accompany the X-ray reflection. The best fitting parameters (with 90% error range) are then: $`=8.7_{5.4}^{+7.9}`$, $`N_\mathrm{H}=2.9_{1.0}^{+2.5}\times 10^{22}\mathrm{cm}^2`$, and an iron line equivalent width of $`W_{K\alpha }=290_{170}^{+190}\mathrm{eV}`$ (with $`\chi ^2/\mathrm{dof}=280/303`$); the resulting model spectrum is shown in Figure 2. We have experimented with fits assuming partial covering of the source or ionized rather than neutral absorbers; neither the quality nor the nature of the best fits differ in any significant way from the above. This is to be expected since the hard X-ray spectrum largely decouples in the analysis from the soft, absorbed, spectrum.

We also investigated the potential presence of an unabsorbed power-law component (corresponding to AGN emission that has been scattered at sufficiently large distances to be free of any substantial absorption). No such component was required by the data, and limits were set on the luminosity of any such component of $`<1.1\times 10^{42}\mathrm{erg}\mathrm{s}^1`$.

## 4 Discussion

In his analysis of previous ASCA data, Iwasawa (1999) was unable to distinguish between a very flat, unabsorbed power-law and a heavily absorbed, typical ($`\mathrm{\Gamma }=1.8`$) AGN spectrum. With the considerably better S/N provided by our ASCA observation, we can show unequivocally that no amount of neutral absorption can steepen the intrinsic photon index into the normal AGN range. We are therefore led to conclude that there is a Compton-thick screen blocking the X-ray source along our line of sight, and we see the AGN only by reflection and scattering of the X-rays into our line of sight (Figure 3). Furthermore, unless the spectrum of the hard X-ray emission is unusually steep, the reflected/scattered emission is fairly heavily absorbed, by a neutral column $`N_\mathrm{H}3\times 10^{22}\mathrm{cm}^2`$.

We can estimate the intrinsic luminosity of the X-ray source in two ways. When we subtract the contribution from the thermal emission, the observed $`0.510`$ keV luminosity is $`2.0\times 10^{42}\mathrm{erg}\mathrm{s}^1`$. Corrected for neutral absorption, this becomes $`3.2\times 10^{42}\mathrm{erg}\mathrm{s}^1`$, and with the reflection fraction $``$ set equal to zero, the scattered luminosity is $`L_{\mathrm{sc}}=2.4\times 10^{42}\mathrm{erg}\mathrm{s}^1`$. (Note that this implies that about three-quarters of the observed X-ray luminosity is due to scattering of X-rays into our line of sight, rather than reflection, thus reducing the equivalent width of the Fe K$`\alpha `$ line from the value of $`1`$ keV expected for a reflection-dominated spectrum.) Hence the intrinsic luminosity of the X-ray source is given by

$$L_{\mathrm{intr}}=2.4\times 10^{43}\left(\frac{0.1}{f_{\mathrm{sc}}}\right)\mathrm{erg}\mathrm{s}^1$$
(1)
where the scattering fraction $`f_{\mathrm{sc}}`$ is expected to be on the order of $`1\%`$ for electron scattering, assuming that the scattering column density is of the same order as the inferred absorption column density, i.e., a Thompson optical depth of order $`0.01`$.

Alternatively, we can estimate $`L_{\mathrm{intr}}`$ from the reflected fraction and modeling of the reflection process. From the above numbers, the observed luminosity in the reflection component is $`L_{\mathrm{refl}}=8.0\times 10^{41}\mathrm{erg}\mathrm{s}^1`$. Using xspec, we conclude that the product of $`L_{\mathrm{intr}}`$ and the reflection fraction $`f_{\mathrm{refl}}`$ is

$$L_{\mathrm{intr}}f_{\mathrm{refl}}=2.0\times 10^{43}\mathrm{erg}\mathrm{s}^1$$
(2)
and so

$$L_{\mathrm{intr}}=2.0\times 10^{44}\left(\frac{0.1}{f_{\mathrm{refl}}}\right)\mathrm{erg}\mathrm{s}^1$$
(3)
where we have normalized to $`0.1`$ under the assumption that only a small fraction of the reflecting surface is visible to us; for the Compton-thick Sy 2 NGC 1068, Iwasawa, Fabian & Matt (1997) infer $`f_{\mathrm{refl}}0.05`$. These two estimates of the luminosity agree for a ratio $`f_{\mathrm{refl}}/f_{\mathrm{sc}}10`$, i.e., for a reflected fraction $`f_{\mathrm{refl}}0.1`$ for a scattered fraction $`f_{\mathrm{sc}}1\%`$ which, as noted above, is the value expected if the scattering column is of the same order as the inferred absorbing column. (This ratio of $`f_{\mathrm{sc}}/f_{\mathrm{refl}}`$ is not independent of the value $`10`$ derived from the spectral fitting.) Thus we infer that $`f_{\mathrm{refl}}0.1`$, $`f_{\mathrm{sc}}0.01`$, and $`L_x2\times 10^{44}\mathrm{erg}\mathrm{s}^1`$. This is $`200`$ times larger than the value of Iwasawa (1999), and a factor $`20`$ larger than the luminosity estimated by Turner (1999); hence our analysis implies that the AGN is much more X-ray-luminous than previously thought.

From our estimate of the intrinsic hard X-ray luminosity $`L_x`$, we can estimate the contribution of the AGN to the bolometric luminosity of Mrk 231. The implied ratio of $`L_x/L_{bol}2\%`$. For comparison, the ratio of $`L_x/L_{bol}`$ for the sample of Sy 1 and radio-quiet QSOs of Elvis et al. (1994) for which X-ray data are available ranges from $`1.95\%`$ to $`14.5\%`$, with the mean value decreasing somewhat with $`L_{bol}`$, from $`6.3\%`$ for $`L_{bol}=10^{45}10^{46}`$ (11 objects) to $`4.3\%`$ for $`L_{bol}=10^{46}2.2\times 10^{46}`$ (7 objects); all the latter are classified as radio-quiet QSOs. Hence, within the uncertainties, the energetics of Mrk 231 are consistent with complete domination by the AGN; in any case, the fraction of the bolometric luminosity contributed by the AGN is almost certainly large ($`\stackrel{>}{}0.5`$). Extrapolating to high energies, the predicted $`50200`$ keV luminosity is $`L_{50200}2\times 10^{44}\mathrm{erg}\mathrm{s}^1`$, a factor of five below the Dermer et al. (1997) upper limit from OSSE.

We also note that, with our estimate of the intrinsic X-ray luminosity, Mrk 231 is no longer an outlier in the significant correlations found by Lawrence et al. (1997) in the properties of AGN with extreme Fe II emission, in particular, those between the 2 keV – 1$`\mu `$m spectral index $`\alpha _{\mathrm{ix}}`$ and the Fe II emission strength and the emission line FWHM. Since our estimate of the flux density at 2 keV is $`270`$ times larger than the value used by Lawrence et al. (from Rigopoulou, Lawrence, & Rowan-Robinson 1996), we find a value of $`\alpha _{\mathrm{ix}}1.2`$, smaller by $`0.8`$ than the value inferred by Lawrence et al., which moves Mrk 231 into line with the bulk of strong Fe II emitters in their sample. Furthermore, the expected hard X-ray luminosity from the correlation between broad H$`\alpha `$ and $`210`$ keV emission (Ward et al. 1988), using the H$`\alpha `$ flux measured by Smith et al. (1995, uncorrected for extinction), is $`L_x\stackrel{>}{}2\times 10^{44}\mathrm{erg}\mathrm{s}^1`$, in excellent agreement with the inferred X-ray luminosity.

## 5 Summary

A moderately long ASCA observation of the infrared-luminous galaxy Mrk 231 shows a very flat hard X-ray spectrum, which strongly suggests that the central AGN is hidden behind a Compton-thick screen, and is observed in X-rays only by scattering and reflection of the radiation into our line of sight. The inferred X-ray luminosity in the $`0.510`$ keV band is $`L_x2\times 10^{44}\mathrm{erg}\mathrm{s}^1`$ for a scattering fraction $`f_{\mathrm{sc}}1\%`$, the value expected from the absorbing column density inferred from the X-ray spectrum. This is much larger than previous estimates, and the resulting ratio of $`L_x/L_{bol}`$ is typical of luminous Sy 1 and radio-quiet QSOs, indicating that the AGN dominates the bolometric luminosity of the galaxy, and confirming the suggestion of Smith et al. (1995) that Mrk 231 is most properly classified as a low-ionization BAL QSO. The increase in the inferred X-ray luminosity over previous estimates also puts Mrk 231 in line with the correlations between 2 keV – 1$`\mu `$m spectral index and both Fe II emission strength and emission line FWHM found by Lawrence et al. (1997) for AGN with extremely strong Fe II emission.

PRM is supported by the NSF under grant AST-9900871 and by the NASA Astrophysical Theory Program under grant NAG5-4061. CSR appreciates support from Hubble Fellowship grant HF-01113.01-98A. This grant was awarded by the Space Telescope Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., for NASA under contract NAS 5-26555. CSR also appreciates support from NASA under LTSA grant NAG5-6337, and the National Science Foundation under grants AST-9529170 and AST-9876887. We are grateful to Mike Nowak for producing Figure 3.


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# Gravitational Lensing Statistics as a Probe of Dark Energy

## I Introduction

The standard cosmological model is based on three cornerstones: the Hubble expansion, the Cosmic Microwave Background Radiation(CMBR) and the primordial Big Bang Nucleosynthesis. Now these three kinds of observations, such as Hubble’s relation for fifty-some Ia type supernovae(SNeIa) out to redshifts of nearly one, the anisotropy of the CMBR and the deuterium abundance measured in four high redshift hydrogen clouds seen in absorption against distant quasars(combined with baryon fraction in galaxy clusters from X-ray data), have made a strong case for the existence of a nearly uniform component of dark energy with negative presure. It seems that determining the amount and nature of the dark energy is emerging as one of the most important challenges in cosmology.

One apparent plausible candidate for the dark energy is the cosmological constant or vacuum energy density. The possibility of a nonzero cosmological constant $`\mathrm{\Lambda }`$ has been advocated and then discarded several times in the past for theoretical and observational reasons. Due to this checked history and the difficulty in understanding the observed $`\mathrm{\Lambda }`$ in the framework of modern quantum field theory, Most physicists and astronomers believe that the cosmological constant should be zero because of some unknown physics. Other candidates for the dark energy include: a frustrated network of topological defects (such as strings or walls) and an evolving scalar field (referred to by some as quintessence). As shown in literatures, it is difficult to discriminate well against these different possibilities either by the SNIa data alone or only by the CMBR data. This led some authors to consider the combination of the SNIa measurements with the anisotropy of CMBR or the large scale structure.

In this paper, an independent means for probing the amount and nature of dark energy is proposed. It relies on the gravitational lensing statistics, which has been shown to be an efficient tool for determining the cosmological parameters. Some authors even have given the general expressions for the optical depth and mean image seperation in general Friedman-Robertson-Walker (FRW) cosmological models. But these expressions are complicated and thereby hard to apply in practice. By using the comoving distance we derive an analytic and simple expression for the optical depth of gravitational lensing that depends on the redshift to the source and the cosmological model characterized by the cosmic mass density parameter $`\mathrm{\Omega }_m`$, the dark energy density parameter $`\mathrm{\Omega }_x`$ and its equation of state $`\omega _x=p_x/\rho _x`$. It is shown that for a flat universe the lensing probability is very sensitive to $`\mathrm{\Omega }_x`$ and $`\omega _x`$, and hence provides an independent probe for the dark energy.

## II Kinematics with dark energy component

We assume a homogeneous and isotropic universe with Robertson-Walker metric (in the $`c=1`$ unit):

$$ds^2=dt^2+R^2(t)\left[d\chi ^2+f^2(\chi )(d\theta ^2+\mathrm{sin}^2\theta d\varphi ^2)\right],$$
(1)
where $`f(\chi )=\chi `$ for a flat universe ($`k=0`$), $`f(\chi )=\mathrm{sin}\chi `$ for a closed universe ($`k=+1`$), and $`f(\chi )=\mathrm{sinh}\chi `$ for an open universe ($`k=1`$). Defining the scale factor $`a(t)=R(t)/R_0`$, $`a=1`$ today, and the Friedmann equation takes the form

$$\left(\frac{\dot{a}}{a}\right)^2=\frac{8\pi G}{3}\underset{i}{}\rho _i\frac{k}{a^2R_0^2}$$
(2)
where $`i`$ includes all components of matter and energy in the universe. If the effective equation of state for the $`i`$-component is parametrized as $`\omega _i=p_i/\rho _i`$, its density scales as $`\rho _ia^{n_i}`$ where $`n_i=3(1+\omega _i)`$. For instance, nonrelativistic matter scales as $`\rho _ma^3`$ while relativistic matter, such as radiation, changes as $`\rho _ra^4`$, and vacuum energy(cosmological constant) is invariant ($`\rho _\mathrm{\Lambda }\mathrm{\Lambda }/(8\pi G)a^0`$) as the universe expands. For the purpose of studying gravitational lensing statistics, we need only consider two important components: one is the nonrelativistic matter ($`\rho _m`$), the other is a nearly uniform dark energy ($`\rho _x,\omega _x=p_x/\rho _x`$) with a constant $`\omega _x`$. In order to avoid interfering with structure formation, the dark energy component must be less important in the past than matter although it may dominates the universe today. So $`\omega _x`$ and hence the pressure of dark energy must be negative. Defining

$$\mathrm{\Omega }_m=\frac{8\pi G}{3H_0^2}\rho _{m0},\mathrm{\Omega }_x=\frac{8\pi G}{3H_0^2}\rho _{x0},\mathrm{\Omega }_k=\frac{k}{R_0^2H_0^2}.$$
(3)
where $`H_0`$ is the Hubble constant, $`\rho _{m0}`$ and $`\rho _{x0}`$ are the nonrelativistic matter density and the dark energy density at present respectively, then Eq.2 becomes

$$\frac{1}{a}\frac{da}{dt}=H_0\left(\frac{\mathrm{\Omega }_x}{a^{3(1+\omega _x)}}+\frac{\mathrm{\Omega }_m}{a^3}+\frac{\mathrm{\Omega }_k}{a^2}\right)^{1/2}.$$
(4)
Note that we have a relation, $`1=\mathrm{\Omega }_x+\mathrm{\Omega }_m+\mathrm{\Omega }_k`$. The distance a light ray travels can be calculated as following. Light rays follow null geodesics where $`ds^2=0`$ so that $`dt^2=R_0^2a^2d\chi ^2`$. It has been shown that the natural cosmological distance for the analysis of gravitational lensing statistics is the comoving distance. With Eq.4 and the relation $`a(t)=(1+z)^1`$, the comoving distance is

$$\chi =\{\begin{array}{cc}_0^z\frac{dz}{\sqrt{\mathrm{\Omega }_x(1+z)^{3(1+\omega _x)}+(1\mathrm{\Omega }_x)(1+z)^3}}\hfill & (k=0)\hfill \\ & \\ \left|\mathrm{\Omega }_k\right|^{1/2}_0^z\frac{dz}{E(z)}\hfill & (k=\pm 1)\hfill \end{array}$$
(5)
$$E(z)\sqrt{\mathrm{\Omega }_x(1+z)^{3(1+\omega _x)}+\mathrm{\Omega }_m(1+z)^3+\mathrm{\Omega }_k(1+z)^2}.$$

The comoving volume $`dV`$ of the shell $`d\chi `$ at $`\chi `$ reads

$$dV=4\pi R^3(t_0)f^2(\chi )d\chi .$$
(6)
## III Optical depth of gravitational lensing in general FRW cosmologies

Now, let’s calculate the optical depth of gravitational lensing by all galaxies with different luminosities and redshifts in the universe. Following Turner et al., we model the mass density profile of a galaxy matter as the singular isothermal sphere (SIS) parameterized by its velocity dispersion $`\sigma `$. The dimensionless cross-section of multiple images for a point source located at $`z_s`$ produced by a single SIS galaxy at $`z_d`$ is

$$\widehat{\sigma }=16\pi ^3\sigma ^4\left[\frac{f(\chi _s\chi _d)}{f(\chi _s)}\right]^2.$$
(7)
By accumulating the contributions of various galaxies, the total dimensionless cross-section by galaxies at redshifts ranging from 0 to $`z_s`$ for distant sources like quasars at $`z_s`$ is

$$\widehat{\mathrm{\Sigma }}(z_s)=4\pi \times F\times T(z_s),F=\underset{i=E,S0,S}{}F_i.$$
(8)
The parameter $`F_i`$, which depends only on the intrinsic and statistical properties of galaxies in the universe, represents the effectiveness of the $`i`$-th morphological type of galaxies in producing multiple images. Due to its uncertainties discussed widely in literatures, we treat $`F`$ as a normalized factor hereon. The $`z_s`$ dependent factor $`T(z_s)`$ is

$$T(z_s)=(H_0R_0)^3_0^{\chi _s}\left[\frac{f(\chi _s\chi _d)}{f(\chi _s)}\right]^2f^2(\chi _d)𝑑\chi _d$$
(9)
After some algebra calculation, we get an analytically simple expression for the optical depth (probability) of gravitational lensing for a point source at $`z_s`$ in general FRW cosmologies with dark energy

$$p=p(z_s;\mathrm{\Omega }_m,\mathrm{\Omega }_x,\omega _x)=\{\begin{array}{cc}\frac{F}{30}\chi _s^3\hfill & (k=0)\hfill \\ & \\ \frac{F}{\left|\mathrm{\Omega }_k\right|^{\frac{3}{2}}}\left[\frac{1}{8}(1+3\mathrm{cot}^2\chi _s)\chi _s\frac{3}{8}\mathrm{cot}\chi _s\right]\hfill & (k=+1)\hfill \\ & \\ \frac{F}{\left|\mathrm{\Omega }_k\right|^{\frac{3}{2}}}\left[\frac{1}{8}(1+3\mathrm{coth}^2\chi _s)\chi _s\frac{3}{8}\mathrm{coth}\chi _s\right]\hfill & (k=1)\hfill \end{array}$$
(10)
where $`\mathrm{\Omega }_k=1\mathrm{\Omega }_m\mathrm{\Omega }_x`$ and $`\chi _s`$ can be calculated through Eq. 5. In the above derivations, the comoving number density of galaxies is assumed to be constant. However, this may not hold true for the realistic situation. If the galaxy evolution depends on cosmological models, one can hardly divide the optical depth into $`F`$-term and $`T`$-term. Fortunately, by using the galaxy merging model proposed by Broadhurst et al. which can successfully account for both the redshift distribution and the number counts of galaxies at optical and near-infrared wavelengths, Zhu and Wu has shown that the galaxy merging doesn’t affect the optical depth of lensing.

## IV Results and discussions

Knowing the analytic expressions for the lensing optical depth in general FRW cosmologies, it is easy to demonstrate how the lensing probability depends sensitively on the amount and nature of dark energy. For sake of simplicity, we now concentrate on flat universe models, which is strongly supported by various observational evidences and prefered by the inflationary scenario. Fig.1 shows how the probability $`p`$ depends on a vacuum energy component (cosmological constant) for a flat universe. In our calculations, the source has been set at $`z_s=1,2,3,4,5`$ respectively. Indeed, the probability $`p`$ depends sensitively on the cosmological constant, this is why astronomers take it as a promising means to determine $`\mathrm{\Lambda }`$ .

Generally, the dark energy is parameterized by ($`\mathrm{\Omega }_x,\omega _x=p_x/\rho _x`$). Therefore the optical depth of gravitational lensing depends on the amount of dark energy $`\mathrm{\Omega }_x`$ as well as its equation of state $`\omega _x`$. The larger the dark energy amount is, the higher the gravitational lensing probability is; the more negative the dark energy pressure is, the higher the optical depth is (see Fig.2). This fact can provide an independent constraint for dark energy, as a complement to other methods. Fig.2 is the contour plots for gravitational lensing probability (normalized to the parameter $`F`$) in the ($`\omega _x,\mathrm{\Omega }_x`$) plane. Along each contour, the dark energy model is degenerated for a lensing optical depth. Fortunately, this degeneracy can be resolved when combining the lensing data with SNIa and CMBR measurements. Thus the gravitational lensing statistics can serve as an efficient but independent tool for probing the dark energy.

In summary, by using the comoving distance we derive an analytic and simple expression for the optical depth of gravitational lensing that depends on the redshift to the source and the cosmological model characterized by the cosmic mass density $`\mathrm{\Omega }_m`$, the dark energy density $`\mathrm{\Omega }_x`$ and its equation of state $`\omega _x=p_x/\rho _x`$. It is shown that, for a flat universe, the lensing probability is very sensitive to $`\mathrm{\Omega }_x`$ and $`\omega _x`$ and hence provides an independent probe for the dark energy.

This work was supported by the National Natural Science Foundation of China, under Grant No. 19903002.


text:
# Dynamics of Stellar Collisions

## 1. Introduction

Stars and galaxies are prototypical examples of self-gravitating systems. While both are held together by gravity, they differ in size, makeup, and structure. From a dynamical point of view, the basic difference is that stars are made up of particles which often undergo collisions, while galaxies are made up of particles which almost never collide (this conference notwithstanding).

Analogies between stellar and gaseous systems run deep. For example, there is a close relationship between spherical stellar systems with isotropic distribution functions $`f=f(E)`$ and gaseous systems with barotropic equations of state $`P=P(\rho )`$. The stability properties of spherical stellar and gaseous systems provide further analogies; an isotropic stellar system with $`df/dE<0`$ is stable if the barotropic gas-sphere with the same density profile is stable (Antonov 1962; Lynden-Bell 1962). This is a sufficient but not necessary condition; on the whole, spherical stellar systems seem to be more stable than their gaseous counterparts. For flattened systems the situation is more complex. Infinite, uniformly rotating sheets of gas and stars have very similar stability criteria (Toomre 1964). On the other hand, certain finite, uniformly-rotating stellar disks (Kalnajs 1972) are much less stable than gaseous disks with the same density profile.

Questions of existence and stability exploit analogies between stellar and gaseous systems at or near equilibrium. In this paper I use numerical simulations to examine how such analogies work in situations which are far from equilibrium: collisions. Colliding stars and colliding spherical galaxies evolve in superficially similar ways, as seen in Fig. 1. Here the top row of frames shows a collision of two gas-spheres, while the bottom row shows the analogous collision of two spherical systems of collisionless particles, hereafter labeled “grit”111In my original presentation I used “dust” instead of “grit”, borrowing this term from cosmology. However, S. Shapro pointed out that “dust” is only applicable to a cold, pressureless medium. Casting about for a suitable term, I chose “grit” since this conveys some resilience to pressure.. A more detailed comparison of the two collisions in Fig. 1 reveals significant differences. For example, it’s evident that orbit decay doesn’t work in quite the same way; contrasting the third pair of frames, the two bodies are much closer in the gas model than they are in the grit model. Moreover, grit evolves reversibly, while gas evolves irreversibly; by integrating the merged grit model backward in time, one can unscramble the wreckage and recover the initial conditions (van Albada & van Gorkom 1977), but the presence of shocks in the gas model precludes such reversals.

### 1.1. Gas model

Technically, the interior of a normal star is a partly-ionized plasma in local equilibrium with a black-body radiation field; support against gravity is provided by some combination of thermal and radiation pressure. But for low-mass stars the latter is insignificant, and to a good approximation the pressure is given by the equation of state for an ideal gas.

Gas dynamics unfolds in a space of three dimensions; the dynamical variables are functions of position $`𝐫`$ and time $`t`$. Two such variables are the density $`\rho =\rho (𝐫,t)`$ and the velocity field $`𝐯=𝐯(𝐫,t)`$. One more variable is needed to represent the thermodynamic state of the gas; in these calculations I use the entropy function $`a=a(S)`$, which enters directly in the equation of state:

$$P=a(S)\rho ^\gamma ,$$
(1)
where $`P`$ is the pressure, and $`\gamma `$ is the ratio of specific heats, here assigned the value $`\gamma =5/3`$ appropriate for a monatomic gas.

I adopt the following dynamical equations:

$$\frac{\rho }{t}+\frac{}{𝐫}(\rho 𝐯)=0,$$
(2)
$$\frac{𝐯}{t}+\left(𝐯\frac{}{𝐫}\right)𝐯=\frac{1}{\rho }\frac{P}{𝐫}\frac{\mathrm{\Phi }}{𝐫},$$
(3)
$$\frac{a}{t}+\left(𝐯\frac{}{𝐫}\right)a=(\gamma 1)\rho ^{1\gamma }\dot{u}_\mathrm{v}.$$
(4)
Here eq. 2 represents conservation of mass and eq. 3 represents conservation of momentum; the gravitational potential $`\mathrm{\Phi }`$ is calculated from Poisson’s equation. Eq. 4 describes the evolution of the entropy function; the flow is adiabatic, conserving the entropy of each fluid element, except where the viscous heating function $`\dot{u}_\mathrm{v}>0`$. A standard form of artificial viscosity (Monaghan & Gingold 1983) is used to implement the increase in gas entropy due to shocks.

I solve these dynamical equations using Smoothed Particle Hydrodynamics or SPH (eg. Monaghan 1992). The code is similar to “TREESPH” (Hernquist & Katz 1989); it includes a hierarchical algorithm to compute gravitational forces, individual smoothing radii $`h_i`$ set so that that each particle $`i`$ interacts with a fixed number of neighbors, and individual time-steps adjusted to satisfy a Courant condition. The code doesn’t include terms proportional to $`h_i`$ which arise when the SPH equations are derived from a Hamiltonian (Nelson & Papaloizou 1993, 1994). Since the code integrates Eq. 4 instead of the equivalent energy equation, the neglect of these $`h_i`$ terms leads to imperfect energy conservation (Hernquist 1993). Most of the calculations presented below conserve energy to $`1`$% or better, so the neglect of these terms is probably not critical in this application.

### 1.2. Grit model

The dominant mass components in typical galaxies are stars and dark matter. In the absence of conflicting evidence the latter is often assumed to be composed of particles with masses much less than $`10^6M_{}`$ (cf. Lacey & Ostriker 1985). The gravitational potential of a galaxy is quite smooth and individual stars or dark matter particles follow smooth trajectories, undisturbed by collisions, close encounters, or any effect due to the discrete nature of the mass.

Stellar dynamics unfolds in a space of six dimensions; the phase-space distribution $`f=f(𝐫,𝐯,t)`$ is a function of position $`𝐫`$, velocity $`𝐯`$, and time $`t`$. In the limit appropriate for galaxies, $`f`$ evolves according to the Collisionless Boltzmann Equation or CBE:

$$\frac{f}{t}+𝐯\frac{f}{𝐫}\frac{\mathrm{\Phi }}{𝐫}\frac{f}{𝐯}=0$$
(5)
Like eq. 2, eq. 5 is a continuity equation, conserving the mass of the system. But eq. 5 describes an incompressible flow in six dimensions; dynamics moves elements of phase-fluid around but conserves the value of $`f`$ associated with each.

I solve the CBE using standard N-body techniques (eg. Barnes 1998). The code uses a hierarchical algorithm to compute gravitational forces and a simple leap-frog integrator to advance particle coordinates.

### 1.3. Polytropes

I chose to collide simple polytropes, instead of using stellar models. While accurate simulations of merging stars require realistic stellar models (Sills & Lombardi 1997), polytropes are still appropriate for comparing the basic physics of stellar and galactic collisions. Polytropes are easily constructed, and their properties are well-understood (eg. Chandrasekhar 1939). Moreover, grit models of polytropes have simple distribution functions (Eddington 1916) and the stability of these systems has been studied using N-body simulations (Hénon 1973; Barnes, Goodman, & Hut 1986).

Both gas and grit polytropes obey the following relationship between mass density $`\rho `$ and gravitational potential $`\mathrm{\Phi }`$:

$$\rho =\rho (\mathrm{\Phi })=\rho _1(1\mathrm{\Phi }/\mathrm{\Phi }_1)^n.$$
(6)
Here $`\mathrm{\Phi }_1`$ is the value of the potential on the surface of the polytrope and $`\rho _1`$ is a constant with units of density. By construction, gas polytropes are marginally stable to convection, and this implies that the index $`n`$ is related to the ratio of specific heats by $`n=1/(\gamma 1)`$. For grit polytropes, $`n`$ is a free parameter, and the distribution function takes the form

$$f=f(E)=\{\begin{array}{cc}f_1(1E/\mathrm{\Phi }_1)^{n3/2}\hfill & \text{if }E<\mathrm{\Phi }_1\text{,}\hfill \\ 0\hfill & \text{otherwise,}\hfill \end{array}$$
(7)
where $`f_1`$ is a constant with units of phase-space density.

For a monatomic gas, $`\gamma =5/3`$, and the appropriate index $`n=3/2`$. The corresponding grit polytrope has an unusually simple structure; $`f`$ has the constant value $`f_1`$ within the six-dimensional volume defined by $`E=\frac{1}{2}v^2+\mathrm{\Phi }(r)<\mathrm{\Phi }_1`$, and vanishes everywhere else.

To construct realizations of polytropes I first tabulated the density profile $`\rho (r)`$, potential $`\mathrm{\Phi }(r)`$, and pressure $`P(r)`$. Grit models were generated by chosing initial positions $`𝐫_i`$ and velocities $`𝐯_i`$ for each particle according to the distribution function $`f(𝐫,𝐯)=f(\frac{1}{2}v^2+\mathrm{\Phi }(r))`$ (Hénon 1973). Likewise, gas models were generated by chosing initial positions $`𝐫_i`$ according to the density profile $`\rho (r)`$, setting initial velocities $`𝐯_i=0`$, and assigning initial entropy function values $`a_i=P(r_i)/\rho ^\gamma (r_i)`$. In both cases all particles had equal masses. Since particle coordinates were assigned independently, these initial configuration have Poissonian fluctuations. Such fluctuations are inevitable in N-body simulations, but they are much larger than the fluctuations normally present in SPH calculations. Therefore, the gas realizations were relaxed by evolving them with the SPH code using a velocity-damping term. This has the effect of “ironing out” the initial density fluctuations without disturbing the overall density profile.

## 2. Collision Sample

The dynamics of a collision depend on the relative orbit and mass ratio of the participants as well as their internal structures. The collisions reported here were restricted to parabolic (zero-energy) orbits, which are appropriate for collisions in globular clusters and similar environments. I used $`n=3/2`$ polytropes and assumed a linear relationship between mass and radius; these choices roughly caricature the properties of low-mass main-sequence stars. It may ultimately be worth relaxing these restrictions, but even with them in place, two parameters must still be chosen for each collision: the mass ratio and the pericentric separation of the initial relative orbit. I adopted mass ratios $`M_1/M_2=1`$ and $`2`$, and studied collisions with pericentric separations $`r_\mathrm{p}`$ ranging from zero (head on) to $`R_1+R_2`$ (grazing). To simplify comparisons between collisions with different mass ratios, I stipulated that all cases have the same total mass.

Since $`G`$ is the only dimensional constant in these calculations, it’s convenient to adopt units with $`G=1`$. The polytropes used for the equal-mass collisions ($`M_1/M_2=1`$) have masses $`M_1=M_2=0.75`$ mass units and radii $`R_1=R_2=0.75`$ length units; for the gas models, the initial entropy function value is $`a(S_1)=a(S_2)=0.2889`$. The polytropes used for the unequal-mass collisions ($`M_1/M_2=2`$) have masses $`M_1=1.0`$ and $`M_2=0.5`$ and radii $`R_1=1.0`$ and $`R_2=0.5`$; the initial entropy function values are $`a(S_1)=0.4240`$ and $`a(S_2)=0.1682`$.

For both mass ratios I considered four collisions with pericentric separations $`r_\mathrm{p}=0`$, $`0.5`$, $`1`$, and $`1.5`$ ($`=R_1+R_2`$); each collision was run with both gas and grit models, using $`24576`$ particles for each calculation. I ran all collisions with $`r_\mathrm{p}1`$ until the participants merged and relaxed to near-equilibrium configurations. The grazing collisions were not run to completion; orbit decay is very gradual in such wide passages and the time required to reach merger seemed excessive.

Fig. 2 summarizes the evolution of the collisions. In each case the participants have a first pericentric passage at $`t2.5`$, marked by sharp minima in the curves of potential energies $`U(t)`$. In the grit models (dashed lines) this potential energy is entirely invested in kinetic energy $`K(t)`$, which has a maxima opposing the minima of $`U(t)`$. In the gas models (solid lines) the gravitational energy is shared between $`K(t)`$ and the thermal energy $`T(t)`$, with the relative apportionment depending on the collision parameters. Head-on collisions produce sharp peaks in $`T(t)`$ as gravitational energy heats the gas; the stored thermal energy drives a subsequent re-expansion and bounce before the system settles down. On the other hand, the collisions with $`r_\mathrm{p}1`$ put most of the available gravitational energy into bulk motion, producing modest peaks in $`K(t)`$ while barely disturbing $`T(t)`$.

### 2.1. First passages

Figs. 3 and 4 report on the first passages of all collisions. Here the contours represent density in the orbital plane, evaluated using SPH-style interpolation; dashed contours show grit density, while solid contours show gas density. Shaded areas show where $`\dot{u}_\mathrm{v}>0`$; these track the shocks propagating through the gas.

The most obvious differences between the gas and grit models occur in the head-on collisions (top rows of Figs. 3 and 4). In the equal-mass head-on collision the two grit polytropes pass directly through each other. As they do so they are briefly compressed by their mutual gravity; at later times they rebound, spraying grit particles onto loosely-bound orbits, and fall back to form a single merged object (van Albada & van Gorkom 1977). The gas polytropes obviously can’t interpenetrate; a shock develops when they first touch. Subsequently the shocked gas forms a disk perpendicular to the collision axis and bounded on the left and right by strong shocks. In the final image of this collision (upper right in Fig. 3) no trace of the two gas polytropes remains; the shocked gas forms a single object which expands due to its large thermal energy content. On the other hand, the grit polytropes, having passed through each other, are still distinct.

The unequal-mass head-on collision produces a more complex morphology. As the small grit polytrope plunges through its larger partner it generates a “wake” – a region of higher density where gravitational focusing concentrates grit from the large polytrope towards the collision axis. This wake is similar to the mutual compression of the two grit polytropes in the equal-mass collision; in both cases the energy needed is extracted from orbital motion, resulting in rapid orbit decay. The gas model produces a very different result; as the small polytrope plows into its partner it creates a strong bow shock. This shock pushes gas away from the collision axis, evacuating a cavity in the wake of the small gas polytrope. Meanwhile, a weaker shock travels backward through the small polytrope. By the last image (upper right in Fig. 4) the bow shock has reached the surface of the large polytrope, while the cavity has been filled in; the small gas polytrope has lost most of its forward momentum and lies, still largely intact, near center of the combined object. In contrast, at this time the grit polytropes have temporarily separated, though they will soon fall back together.

Many of the dynamical effects just described also play a role in the off-axis collisions. In the equal-mass $`r_\mathrm{p}=0.5`$ collision the bodies of the two gas polytropes are traversed by parallel shocks which slow their relative motion and increase their entropy. The unequal-mass version of this collision produces an asymmetric bow shock as the small polytrope moves through the outer layers of its companion, leaving a temporarily furrow behind. In contrast, the grit versions of these collisions again show regions of enhanced density in the wakes of the interpenetrating polytropes. Less dramatic effects are seen in the wide collisions; the $`r_\mathrm{p}=1`$ collisions are basically “kinder and gentler” versions of their closer counterparts, with weaker shocks and more subtle wakes. Finally, the grazing collisions ($`r_\mathrm{p}=1.5`$), shown at the bottom of Figs. 3 and 4, don’t develop significant shocks; these passages involve only gravitational interactions.

### 2.2. Orbit decay

Although their initial orbits are parabolic, all of the off-center collisions leave the participants on bound orbits after their first passage. This orbit decay is generally due to the transfer of orbital energy to internal degrees of freedom, but the way this transfer takes place may be quite different in gas and grit models.

From Fig. 2 it’s already clear that the interplay between gravity and gas-dynamics in orbit decay is complex. The plots of $`U(t)`$ for the collisions with $`r_\mathrm{p}=0.5`$ and $`1.0`$ show two or more minima, each representing a different pericentric passage. In three of these collisions the grit models return to pericenter before the corresponding gas models, but the opposite order is seen in the $`(M_1/M_2,r_\mathrm{p})=(2,0.5)`$ collision. Thus compared to the grit models, gas can either accelerate or delay orbit decay.

Fig. 5 shows orbital trajectories for all off-center collisions. These trajectories confirm that in the $`(M_1/M_2,r_\mathrm{p})=(1,0.5)`$, $`(1,1.0)`$, and $`(2,1.0)`$ collisions the grit models undergo more rapid orbit decay than their gas counterparts, and that the opposite is true for the $`(2,0.5)`$ collision. Moreover, they reveal a further puzzle; in grazing collisions the outgoing orbits of the gas polytropes are more tightly bound than those of their grit doppelgangers.

Closer inspection of Fig. 5 suggests a mechanism which might delay orbit decay in some gas models. Collision $`(M_1/M_2,r_\mathrm{p})=(1,0.5)`$, in which the difference between the gas and grit models is quite dramatic, shows it most clearly: on their first passage the gas polytropes “bounce” off each other as if elastic. Of course, this is not too surprising; an ideal gas is perfectly elastic in the absence of shocks. Moreover, the corresponding panel of Fig. 2 shows a sharp peak in the thermal energy $`T(t)`$ during this passage, and Fig. 3 shows that the gas is compressed to roughly twice its initial density at the moment of closest approach ($`t2.5`$). Similar bouncing trajectories are seen in the other off-axis collisions.

On the other hand, the rapid orbit decay of the $`(M_1/M_2,r_\mathrm{p})=(2,0.5)`$ collision points to a different effect. Here as in the head-on cases the orbits of the gas polytropes decay faster than the orbits of their grit counterparts. For the head-on collisions this is no great mystery; ram pressure brings the gas polytropes to a screeching halt on their first and only passage. A similar explanation probably applies in this deeply-penetrating off-axis collision; the small polytrope does so much work plowing through the body of its large partner that it loses most of its orbital momentum.

The puzzle of the grazing collisions can’t be explained in this way as the gas polytropes barely touch each other. These decays are governed by tides, and it may seem paradoxical that the gas and grit models with $`r_\mathrm{p}=1.5`$ diverge since the same tidal gradients exist in both cases. However, the bottom rows of Figs. 3 and 4 show that gas polytropes suffer stronger tidal distortions in grazing collisions than do their grit counterparts. This make sense; in the initial polytropes, gas particles are nearly stationary, while grit particles are in constant motion. Thus during a tidal encounter, a well-placed gas particle can accumulate more momentum than a wandering grit particle. Now the stronger tidal response of the gas polytropes is the key; recall that there would be no orbit decay whatsoever if both participants remained exactly spherical. By being more responsive, gas polytropes couple orbital motion to internal degrees of freedom more effectively, and hence in grazing collisions their orbits decay faster than those of grit polytropes.

### 2.3. Later passages

Thanks to orbit decay, later passages are slower and closer than first ones. Closer passages are always more violent, as Figs. 3 and 4 amply illustrate. On the other hand, the speed of passage affects gas and grit models in different ways. For grit models, slower passages are generally more disruptive; galaxies collide in exactly the way that cars don’t, because low speeds give tides more time to act. Gas models, though also sensitive to tides, suffer less from shocks in slow collisions; the coalescence of two gas polytropes is more like a gentle swirling together than a head-long plunge.

Every passage pumps orbital energy into internal degrees of freedom, distending both gas and grit polytropes. After each passages, gas systems relax into convectively stable configurations; low-entropy material remains centrally concentrated, while high-entropy material forms an extended envelope. Grit systems also acquire distended outer envelopes; eq. 5 conserves phase-space density, so in phase-space such an envelope is really a thin “hyper-ribbon”, tidally extracted from the main body, which still has the high phase-space density of its source. Nonetheless, this ribbon comes to resemble a smooth envelope as phase-mixing winds it into a tight spiral.

In basic outline, final encounters resemble mild versions of head-on collisions; either both partners are subsumed into a single object, or one partner burrows into the center of the other.

## 3. Remnant Structure

In the aftermath of a merger the wreckage undergoes a last episode of dynamical relaxation as it evolves towards an equilibrium configuration. This final convulsion generally begins at the center and travels outward. In a grit system potential fluctuations during the final merger scatter particles onto loosely-bound radial orbits; as these outgoing particles reach apocenter they create a caustic or “shell”. In a gas system the final merger may create a weak outgoing shock, but much of the readjustment takes place at subsonic velocities, with no attendant increase in entropy.

### 3.1. Density profiles

Fig. 6 presents density profiles for all six merging collisions (those with $`r_\mathrm{p}1`$). These profiles were calculated by evaluating the mass in nested spherical shells. Despite the differing dynamics of gas and grit mergers, the resulting remnants have similar profiles over a range of five decades in density. At large radii both grit and gas densities fall off roughly as $`\rho r^4`$. For grit models this asymptotic slope results as phase-mixing spreads out a population of particles with a wide range of energies including both bound and unbound orbits (Jaffe 1987; White 1987).

The unequal-mass mergers yield density profiles with “shoulders” where the slope briefly becomes shallower as $`r`$ increases. These compound profiles arise because the small polytropes resist disruption during the merger process. The thin lines in the right-hand panel of Fig. 6 show density profiles derived using only particles originating in from the small polytropes. In every case, the small polytropes have settled, virtually intact, in the centers of the merger remnants. For the gas models, this outcome is explained by the lower entropy which the small polytrope retains throughout the collision and merger; the remnant can’t be convectively stable unless this low-entropy material winds up at the center.

If both partners have the same entropy, how much rearrangement takes place during a merger? Fig. 7 presents scatter-plots of initial binding energy $`E_\mathrm{i}`$ vs. final binding energy $`E_\mathrm{f}`$ for particles in both versions of the $`(M_1/M_2,r_\mathrm{p})=(1,0.0)`$ collision. Here $`E_\mathrm{i}`$ was measured with the polytropes at infinite separation, while $`E_\mathrm{f}`$ was measured from the merger remnant; internal energies were included in calculating binding energies of gas particles. These plots show that initial binding energy is a useful, albeit imperfect, predictor of final binding energy. For the gas model, the correlation between $`E_\mathrm{i}`$ and $`E_\mathrm{f}`$ is fairly strong; moreover, there is a one-to-one relationship between binding energy and radius, so the initial and final radii of gas particles are also correlated.

For the grit model things are more complex. As the right-hand panel of Fig. 7 shows, grit particles have a bimodal distribution of final binding energies. This arises because the orbital phases of individual grit particles have a strong bearing on their response to tidal interactions. For example, consider a particle which reaches an apocenter of its orbit just before the polytropes interpenetrate, and the subsequent pericenter just after they separate. Such a particle sees a deeper potential well while falling in than it does while climbing out, so it gains energy; conversely, a particle on a similar orbit with a different phase may lose energy. The resulting bimodal energy distribution explains the shoulder in the density profile of this remnant (Fig. 6, left-hand panel, upper dashed curve). Tightly-bound particles form the core, while the rest form the $`\rho r^4`$ envelope; the deficit of particles with $`E_\mathrm{f}1.2`$ accounts for the dip in $`\rho (r)`$ at $`r0.8`$.

### 3.2. Shapes

Fig. 8 presents density contours for the full sample of gas and grit merger remnants. Two slices through each remnant are shown; one slice in the orbital plane, and one slice at right angles to this plane. As in Figs. 3 and 4, here too the head-on collisions produce the most striking discrepancies between gas and grit models. The head-on gas remnants are nearly spherical, as expected for a self-gravitating gas configuration with no angular momentum. The head-on grit remnants, on the other hand, are prolate bars aligned with the collision axis. This is a “long-term” memory of the original collision velocities. Without the short-range interactions which randomize gas motions, grit systems maintain anisotropic velocity dispersions which can support such aspherical shapes.

The remnants produced in off-axis collisions have significant amounts of angular momentum. Most such collisions yield fairly oblate remnants; sliced perpendicular to the orbital plane, the gas remnants are sometimes “disky” while the grit remnants seem more “boxy”, but in general the density contours are very similar. The remnants formed by the $`(M_1/M_2,r_\mathrm{p})=(1,0.5)`$ collisions are somewhat unusual in this regard. Both are distinctly non-axisymmetric; sliced along the orbital plane, the grit model has elliptical density contours at all radii, while the gas model seems to have a doubled core and a slightly elongated envelope. The grit remnant may be stable, since anisotropy and rotation together can support a tumbling triaxial structure in equilibrium. The same may not be true of the non-axisymmetric gas remnant; more experiments could help settle this issue.

### 3.3. Kinematics

Fig. 9 compares the kinematics of gas and grit versions of remnants from collision $`(M_1/M_2,r_\mathrm{p})=(1,1.0)`$. This remnant has a relatively large amount of angular momentum and a major-to-minor axis ratio of roughly $`2`$:$`1`$. Here the velocity in the direction of rotation, $`v_\varphi `$, has been plotted against cylindrical radius in the rotation plane, $`R`$. Between the plots of particle velocities for gas (left) and grit (right), an additional plot shows velocities of gas atoms taking thermal motion into account (middle). The gas has a very regular velocity field, as reported in previous studies (eg. Lombardi, Rasio, & Shapiro 1996). In contrast, the grit has a broad distribution of velocities at each point; while the overall sense of rotation is the same as in the gas case, some grit particles even counter-rotate. But when the grit is compared to the gas atoms, it’s evident that these velocity distributions are very much alike. The similarity of these distributions is consistent with the good match between the density contours of the gas and grit versions of this remnant (Fig. 8, upper-right).

Kinematics for the remnants of the head-on collision $`(M_1/M_2,r_\mathrm{p})=(1,0.0)`$ are presented in Fig. 10. Here the radial velocity, $`v_\mathrm{r}`$, has been plotted against the spherical radius, $`r`$. This remnant has no angular momentum, so gas velocities should vanish; the small velocities seen in the left-hand panel indicate that the remnant is not yet fully relaxed. The grit version also is not yet completely relaxed, since in perfect equilibrium the distribution should be symmetric with respect to the line $`v_\mathrm{r}=0`$. Moreover, the grit plot shows that in phase-space the envelope of this remnant is not smooth, but consists of narrow ribbons of particles. These particles populate the upper peak in the final binding energy distribution for this remnant (Fig. 7, right-hand panel); launched as the two polytropes interpenetrated, they fell back in coherent streams and have since been wound up by ongoing phase-mixing. With time this fine structure will become harder to see, and eventually this plot will look something like the plot of atomic velocities shown in the middle. But even in the limit $`t\mathrm{}`$ some differences will remain; these include the radial anisotropy of the grit velocity distribution and bimodal nature of its binding energy distribution.

## 4. Conclusions

Comparison of gas-dynamical and stellar-dynamical models of colliding systems reveals many specific differences and hints at some underlying similarities. While stellar systems interact via gravity alone, gas systems interact via a complex mixture of gravity, pressure forces, and shocks. This mix greatly increases the range of dynamical behavior in stellar collisions. Even when interactions between gas systems are limited to tides, the resulting deformations are stronger than those seen in equivalent encounters of stellar systems.

Remnants of gas-dynamical and stellar-dynamical mergers also exhibit significant differences. Stellar systems have anisotropic velocity distributions, supporting a wide range of remnant morphologies, while gas systems settle into a small range of equilibria. But at the same time, the stellar and gaseous remnants studied here have very similar density profiles, and often similar shapes as well. This seems remarkable, since the physics behind these density profiles is rather different. The extended envelopes of gaseous remnants contain high-entropy material produced by shocks, which are violent, well-localized events resulting from physical encounters. On the other hand, the envelopes of stellar remnants contain material extracted from the participants by tides; this material retains the high fine-grain phase-space density it starts with, and only when coarse-grained does it approximate the atomic velocity distribution of a gaseous envelope. Two puzzles remain: first, why do such disparate mechanisms – shocks and tides – produce such similar remnant envelopes? And second, how is coarse-graining – an operation applied to a stellar system by an observer – analogous to the irreversible physical processes which occur in gaseous systems?

#### Acknowledgments.

I thank Piet Hut, James Lombardi, Frederic Rasio, and Stuart Shapiro for helpful suggestions. Support for this work was provided by NASA grant NAG 5-8393 and by Space Telescope Science Institute grant GO-06430.03-95A.

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text:
# Central Rotation Curves of Galaxies

## 1 Introduction

The CO molecular lines are useful to derive accurate rotation curves in the central regions of spiral galaxies, because of the high concentration in the center as well as for negligible extinction (Sofue 1996, Sofue et al 1997, 1998, 1999). Recent high-dynamic-range CCD spectroscopy in optical lines also make it possible to obtain high accuracy rotation curves in the central regions (Rubin et al 1997; Bertola et al 1998). However, in general, optical lines suffer from significant extinction by the central dusty disks, which is particularly signficant for highly-inclined and edge-on galaxies. Hence, the CO lines will be the most appropriate tool to investigate the central kinematics of spiral galaxies, if the angular resolution is sufficiently high. In this paper, we present recent high-resolution interferometer observations of CO lines, and discuss the general properties of central rotation kinematics based on the high-accuracy rotation curves.

## 2 High-resolution CO Observations of NGC 3079

In order to see if the central steep rise, or more likely non-zero start of the velocity, is indeed the case at higher resolutions than the current observations, we have performed interferometer observations at Nobeyama in the CO (J=1-0) line of nearby CO-rich galaxies. Here, we present an example for the edge-on galaxy NGC 3079, which exhibits a very dense central molecular core with various nuclear activities (Sofue et al 2000). The 12CO (1 - 0) observations of NGC3079 were made in January to April 2000 using the 7-element mm-wave interferometer at Nobeyama, which consisted of the 6-element mm-wave array in A configuration linked with the 45-m telescope. We also obtained C and D-compact array observations, and all UV data were combined. Fig. 1 shows the obtained PV (position-velocity) diagrams.

The CO line intensity distribution in NGC 3079 is summarized as follows: (a) An ultra-high-density compact and massive molecular core (UHC) of radius 125 pc and molecular mass of $`3\times 10^8M_{}`$ is detected at the nucleus. (b) The core is embedded in a warped nuclear molecular disk (NMD) of radius 900 pc, and the disk has two spiral arms. (c) An outer disk extending for more than 2 kpc along the major axis.

## 3 Position-Velocity Diagrams and Rotation Curve

Fig. 1 shows the obtained PV diagrams for the central regions of NGC 3079, where the central UHC and NMD are resolved out both in the velocity and space. The UHC shows up as an intense PV ridge near the center. The rotation velocity of the molecular core increases toward the nucleus, and the velocity does not decline to zero at the center, indicating that the rotation curve starts from a finite value already at the center with at about 300 km s-1 or greater. The warped nuclear disk shows up as an inclined ridge in the PV diagram, representing two-armed spiral arms. The radius of this disk component is $`\pm 12^{\prime \prime }`$, or the total radius is about $`\pm 900`$ pc. The main disk of the galaxy in the PV diagram shows up as two fainter ridges with smaller relative velocities, bifurcating from the main ridge of the nuclear disk. These bifurcated ridges show roughly rigid rotation, but at slower velocities, which represents foreground/background spiral arms. We also notice a velocity displacement between the two arm-like features, which may represent non-circular motion driven by the spiral density waves.

Using the PV diagram, we derived a central rotation curve, and combined it with the existing data (e.g. those from Irwin and Seaquest 1991) to obtain total rotation curve as shown in Fig. 2. The rotation velocity starts from a finite value of about 300 km s-1, and declines to a first minimum of about 200 km s-1 at 30′′ (2.5 kpc) radius. It is then followed by a broad disk maximum of $`V240`$ km s-1at 5 to 10 kpc, and then by a declining outermost rotation.

Using the rotation curve, we can derive a differential surface mass density as a function of radius by applying the method developed by Takamiya and Sofue (1999). The surface mass densitu (SMD) increases steeply toward the center, indicating high density cores with $`SMD>10^5M_{}`$ pc-2. Since NGC 3079 is an Sc galaxy with a poor central bulge, the high mass density could infer a concentration of invisible (dark) mass in the central region.

## 4 Universal Properties of Rotation Curves

In Fig. 4 we reproduce well-sampled rotation curves obtained by combining CO, CCD H$`\alpha `$, and HI observations from our current study (Sofue et al 1999). From Figs. 2, 3 and 4, particularly from the case for the highest-quality rotation curves for NGC 3079, we may summarize the universal properties of rotation curves as follows.

(1)Massive galaxies generally show very steep rise of rotation in the central region. Mostly likely, the rotation velocity starts from a finite value at the center, indicating a massive core at the nucleus. (2) Small-mass galaxies with slowe rotation velocities, however, tend to show more gentle rise. (3) The central rotation is followed by a central peak and/or shoulder corresponding to the bulge. (3) RC is then followed by a road maximum in the disk. (4) The outer RC is flat, and sometimes declining toward the edge.

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Sofue, Y., Koda, J., Kohno, K., et al. 2000, submimtted to ApJ. L.

Sofue, Y., Tutui, Y., Honma, M., et al. 1999, ApJ, 523

Takamiya, T., and Sofue, Y. 1999, to appear in ApJ.


text:
# LARGE ORBITAL MAGNETIC MOMENT IN FeO, FeS and FeBr2

## Abstract

Magnetic moment of the Fe2+ ion in FeO, FeS and FeBr2 has been calculated within the quantum atomistic solid-state theory to substantially exceed a value of 4 $`\mu _B`$ in the magnetically-ordered state at 0 K. In all compounds the large orbital moment, of 0.7 - 1.1 $`\mu _{B\text{,}}`$ has been revealed. Our calculations show that for the meaningful analysis of electronic and magnetic properties of FeO, FeS and FeBr2 the intra-atomic spin-orbit coupling is essentially important and that the orbital moment is largely unquenched in 3d-ion containing compounds.

PACS 75.10.Dg 71.70.Ch 71.28+d 75.30.Mb

Keywords: crystal-field interactions, spin-orbit coupling, orbital moment, Fe2+ ion, FeO, FeBr2

The compounds FeO, FeS and FeBr2 have been chosen because all of them are ionic compounds with the iron atom in the divalent state. They crystallize in different crystallographic structures (FeO: cubic, NaCl, a=433.4 pm; FeS: hex, NiAs, a=345 pm, c=570 pm; FeBr2: hex, CdI2, a=377 pm, c=622 pm). All exhibit at low temperatures the antiferromagnetic (AFM) ordering, but with dramatically different values of the Neel temperature, of 198 K, 590 K and 14 K respectively. These compounds are a subject of scientific interest for pretty long time, FeO already from the ancient times. Despite of the simple crystallographic structure of FeO (NaCl, B1) and the simple antiferromagnetic structure below 198 K its properties are not well understood. In fact, as many of compounds containing open shell 3d ions known as Mott insulators. Recently the problem of FeO has been renewed by the discussion of the formation of the non-magnetic state under megabar pressures \[1-3\]. Quite similar problem, high-spin to low-spin transition, has been discussed in Ref. 4 for FeS. This experimentally-driven discussion correlates well with the theoretical prediction that the realization of the high-spin and low-spin states depends on the local symmetry , but not on the strength of the cubic crystal-field interactions. Despite of the considerations of the Co3+ ion in Refs 5 and 6 the obtained results are directly applicable to the Fe2+ ion as both systems have 6 d electrons in the form of the highly-correlated 3d6 system.

FeBr2 exhibits the strong metamagnetic properties . At 4.2 K an external field of 3.15 T applied along the hexagonal axis causes a jump of the magnetization from the almost zero value to a very big value of 4.4 $`\mu _B`$ per the iron-ion moment. This value exceeds a theoretical value of 4.0 $`\mu _B`$ expected for the spin-only moment. The explanation of this large magnetic moment is a subject of the long-time debate within the 3d-magnetism theoreticians \[1-4,9,10\]. A moment of 4.2 $`\mu _B`$, exceeding 4 $`\mu _B`$, has been also detected in FeO .

In this Letter we would like to report results of our calculations for the magnetic moment performed within the quantum atomistic solid-state theory (QUASST). This theory has been recently successfully applied to 3d-ion containing compounds like NiO , LaCoO3  and FeBr2 . QUASST considers the electron correlations within the d shell as extremely strong forming 3dn atomic-like electronic system. QUASST points out the existence of the discrete atomic-like spectrum in the 3d-ion containing compounds associated with the quasi-atomic 3d states and the importance of the local atomic-scale symmetry.

The QUASST analysis starts from the analysis of the local symmetry of the Fe2+ ions in the compounds under investigations. The Fe2+ ion in the perfect B1 structure is in the octahedron of the oxygen ions. The experimentally detected rhombohedral distortion  in the magnetic state indicates on the distortion of this octahedron along the main diagonal (the trigonal distortion). The analysis of the hexagonal FeBr2 structure reveals the existence of the similar octahedron formed by 6 bromium atoms in the monovalent state. The trigonal axis of the Br6 octahedron is directed along the hexagonal axis - it is the very fortunate situation that significantly helps us in the understanding of magnetic properties of FeBr2 . Namely, it turns out that this distortion, measured by the change of the c/a ratio, can develop not spoiling the overall hexagonal symmetry and what more important the magnetic moment lies along the trigonal distortion axis. The similar octahedron is formed by the sulphur atoms in the hexagonal FeS structure. Like in FeBr2 the trigonal axis of this octahedron is directed along the hexagonal c axis of the elementary unit cell. Again the c/a ratio can be freely changed without breaking of the overall symmetry. Thus, we see that in all of these compounds the Fe2+ ions are surrounded by the octahedra formed by the negatively charged ions (O2-, S2- and Br1-). The size of these octahedra varies from 306 pm (FeO) to 377 pm (FeBr2) and 345 pm in case of FeS. Despite of different structures in all cases the trigonal distortion is realized.

As mentioned already the calculations have been performed within the quantum atomistic solid-state theory, that points out the existence of the discrete atomic-like energy spectrum. In the divalent iron state there is 6 electrons in the open 3d shell. We consider these 6 d electrons of the Fe2+ ion to form the highly-correlated atomic like electronic system 3d6 (note, that in, for instance, the LDA approach these electrons are treated as largely independent, at least at beginning). Such the system fulfills two Hund’s rules and is characterized by L=2 and S=2 \[15-16\]. The ground term is 5D. Its 25-fold degeneracy is removed by the (dominant) cubic crystal field (CEF) interactions (cubic CEF parameter B4 = +200 K, the octahedral site), the intra-atomic spin-orbit coupling ($`\lambda _{so}`$ = -150 K) and an off-cubic trigonal distortion (parameter B$`{}_{}{}^{0}{}_{2}{}^{}`$ of -30 K has been derived in FeBr2). These parameters corresponds to the overall energies: $`\mathrm{\Delta }_{CF}^{oc}=2`$ eV, $`\mathrm{\Delta }_{so}=0.13`$ eV and $`\mathrm{\Delta }_t=0.03`$ eV.

These parameters yield the doublet ground state, that is highly magnetic. Quite close to the ground doublet is a non-magnetic singlet. Such the triplet structure is characteristic for the Fe2+ and Co3+ ions (3d6 systems, also 4d6 and 5d6 systems) in the octahedral crystal field . The triplet is split by the off-cubic distortion . The non-magnetic singlet becomes the ground state in LaCoO3. The magnetism of FeO, FeS and FeBr2 develops on the magnetic doublet when the intersite spin-dependent interactions are switched on in the self-consistent way. These spin-dependent interactions, approximated by the molecular-field approach, set up the internal molecular field of 116, 430 and 5.1 T, respectively that splits the ground-state doublet. We would like to point out that the magnetism (the value and the direction of the magnetic moment, the temperature dependence of the magnetic moment) and the low-energy, $`<`$ 4 eV, electronic structure all of these compounds is understood consistently. The higher Neel temperature - the larger internal field and the larger splitting of the ground-state doublet is. One should note that the involved magnetic energies are of order of 0.02-0.03 eV (FeO) only, i.e. they are relatively small.

The calculated atomic-like magnetic moment of the Fe2+ ion in the ionic FeBr2 compound in the magnetically-ordered state at 0 K turns out to be 4.32 $`\mu _B`$ . This moment is composed from the spin moment of +3.52 $`\mu _B`$ and the orbital moment of +0.80 $`\mu _B`$. In the paramagnetic state the total moment amounts to 4.26 $`\mu _B`$ (3.48 and 0.78 $`\mu _B`$). In FeO at 0 K the spin and orbital moments amount to 3.70 and 0.90 $`\mu _B`$ (total: 4.60 $`\mu _B`$), and in FeS to 3.94 and 1.06 $`\mu _B`$ (total: 5.00 $`\mu _B`$), respectively. The orbital moment adds to the spin moment as one could expect knowing the 3rd Hund’s rule.

The crystal-field interactions in the hexagonal structure of FeBr2 and FeS cause the Fe-ion moment to lie along the hexagonal axis. The hexagonal axis is the trigonal axis of the local Br1- and S2- octahedra. As a consequence the antiferromagnet FeBr2 is very good example of the Ising-type magnetic compound. The metamagnetic transition is associated with the reversal of the AFM moment and it occurs at 3.15 T for FeBr2. We expect the metamagnetic transition to occur in FeO at about 75 T for fields applied along the $`<`$111$`>`$ direction. An enormous field of 260 T is needed for the metamagnetic transition in FeS (along the hexagonal c axis).

The Fe2+-ion moment strongly depends on the local symmetry. The local symmetry is reflected in the symmetry of the CEF. In case of the octahedral crystal field formed by the negative charges the elongation of the octahedron along the diagonal (than the rhombohedral angle $`\alpha _R`$ $`<`$60o like it is observed in FeO) pushes the magnetic doublet down and helps the magnetism, the stretching can lead to the non-magnetic singlet ground state like in LaCoO3. According to us the stretching of the local octahedron is also the reason for the low-spin state in diamagnetic Fe2+-ion compounds, but the further discussion of this problem goes beyond the present Letter.

Finally we would like to note that our atomic-like theory is, in fact, no free parameter theory. All parameters have the clear physical meaning. The spin-orbit coupling is known from the atomic physics. The parameter B$`{}_{}{}^{0}{}_{4}{}^{}`$ can be quite well estimated from conventional charge multipolar interactions- the sign, for instance, is fully determined by the octahedral anion surrounding . The parameter B$`{}_{}{}^{0}{}_{4}{}^{}`$ is expected to decrease going from FeO to FeBr2 via FeS (the iron–anion distance increases) - we took for the present consideration the constant value for the simplicity reason. It turns out that the size of B$`{}_{}{}^{0}{}_{4}{}^{}`$ does not affect much the ground-state results as the B$`{}_{}{}^{0}{}_{4}{}^{}`$ energy scale, of 1-2 eV, is much larger than the spin-orbit, distortion and magnetic energy scales. Moreover, preceding some critics we should say that we start the considerations from the iron atom in the octahedral anion surrounding but due to the translational symmetry the whole crystal is built up from such corner, edge or wall sharing octahedra.

In conclusion, the Fe2+ ion in FeO, FeS and FeBr2 exhibits large atomic-like magnetic moment, $`>`$ 4 $`\mu _B,`$ with the very substantial orbital magnetic moment (0.7-1.1 $`\mu _B`$). Such large orbital moment indicates that the orbital moment has to be ”unquenched” in the modern solid-state theory of 3d-ion containing compounds.

E-mail (R.J.Radwanski) - sfradwan@cyf-kr.edu.pl