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# Wavelength de-multiplexing properties of a single aperture flanked by periodic arrays of indentations

## I Introduction

The new technological abilities for structuring metals in the micro and nanometer length scales are triggering a renewed interest in the optical properties of metals Sigalas95 ; Barnes96 ; Garcia96 ; Fan96 ; Sievenpiper98 ; Pendry99 ; Fleming02 . A breakthrough in the field was the experimental discovery Ebbesen  that the optical transmission through an array of sub-wavelength holes is, for certain wavelengths, boosted orders of magnitude over what a theory of independent holes would predict.

In subsequent works it was shown how the transmission through a single aperture can be boosted if it is appropriately flanked by surface corrugations in the side light is impinging on Grupp99 ; Thio ; Lezec . Corrugations on the exit surface practically do not modify the total transmittance but, for some resonant wavelengths, greatly modify the angular distribution of the transmitted light, leading to strong beaming effects Lezec ; LMM03 . This was shown for a hole surrounded by corrugations in the so-called bull’s eye geometry and for a single slit flanked by one-dimensional grooves. It has been shown that these two processes (enhanced transmission and beaming) work independently LMM03 ; FJ03 , so it is possible to have more light passing through an aperture and have it transmitted in a narrow beam by patterning both the input and exit sides. These effects are associated to the formation of electromagnetic resonances (leaky modes) running along the metal surface, and radiating as they move due to the coupling to homogeneous waves in vacuum. The spectral position of these EM resonances depend on the geometrical parameters defining the corrugations (distance between indentations, and their widths and depths).

These studies were done in a symmetric configuration of a finite number of grooves surrounding the central slit. In this paper we show that, to a large extend, the properties of the groove arrays at the left and right of the slit behave independently. This property adds to the interpretation of the properties of the system in terms of running surface waves. It also allows, through the appropriate choice of geometrical parameters for left and right groove arrays at both entrance and exit surfaces, this type of structures to act as wavelength de-multiplexers: the input side of the device can be used as a filter for two particular wavelengths and the corrugations on the exit side can be tailored in order to beam each of these two chosen wavelengths in different directions.

The paper is organized as follows: in Section 2 we present the theoretical formalism. Section 3 presents the transmission results for a single slit with an array of groove to one side, while the transmission angular distribution is considered in Section 4. In Section 5, we show how this kind of structures may be used for wavelength demultiplexing (WDM).

## II Theoretical formalism

We are interested in analyzing the transmission properties of the system depicted in Fig.1: a single slit flanked by finite arrays of one-dimensional rectangular indentations. The central slit may be flanked by arrays of grooves at both input and output metal surfaces and, in each case, the arrays may be different to the left and right of the slit. We refer to these four arrays as IL, IR, OL and OR (see Fig.1), depending on whether they are input-left, input-right, output-left and output-right, respectively. Each groove ($`\alpha `$) is characterized by its position ($`r_\alpha `$), its width ($`a_\alpha `$) and its depth ($`h_\alpha `$), while the slit (labelled by the sub-index 0) is considered to be placed at the origin, having a width $`a_0`$. Metal thickness is $`W`$.

Let us concentrate in the case of p-polarized light for which interesting resonant effects have been reported. Electromagnetic (EM) fields associated to this scattering process are expanded by a set of plane waves in vacuum and by a modal expansion inside the indentations (slit and grooves). For this last case, as we are mainly interested in sub-wavelength apertures, we consider that only the fundamental propagating eigenmode is excited. Then, for $`x`$ inside indentation $`\alpha `$, the wavefield is a linear combination of $`\varphi _\alpha (x)\mathrm{exp}(\pm ıkz)`$, where $`k=2\pi /\lambda `$ and $`\varphi _\alpha (x)=1/\sqrt{a_\alpha }`$. We assume that the metal behaves as a perfect metal, expelling the electric field from its bulk. One advantage of the perfect metal approximation is that as all length scales associated to the dielectric constant (skin depth and absorption length) disappear from the problem, all results are directly exportable to other frequency regimes (microwave or infrared regimes), simply by scaling appropriately the geometrical parameters defining the structure. With respect to the applicability of this approach in the optical regime, we have demonstrated in previous theoretical works FJ02  that this is a reasonable approximation when analyzing optical properties of nanostructured metals like silver or gold in simpler systems like reflection gratings or 1D arrays of subwavelength slits. Moreover, within this framework, we have been able to reproduce LMM03 ; FJ03  in semi-quantitative terms the reported phenomena of enhanced transmission and beaming appearing in the optical regime for finite structures.

In order to extract the expansion coefficients in vacuum (related to the reflection and transmission functions) and indentations regions, we match the parallel components of the EM fields ($`E_x`$ and $`H_y`$) at the interfaces present in the system. By projecting the matching equation for $`E_x`$ at $`z=W`$ and $`z=0`$ onto plane waves, we can express the reflection and transmission coefficients in terms of the wavefield expansion coefficients inside the indentations. $`H_y`$ must be continuous only at the indentation openings and also (as we are assuming perfect metal boundary conditions) $`E_x=0`$ at the bottom of the grooves. Therefore, all matching equations can be expressed as a function of the set of expansion coefficients inside the indentations: \[$`E_\alpha ^I,E_\beta ^O`$\](see Fig.1). The sub-set ($`E_\alpha ^I`$) give the $`x`$-component of the electric field at $`z=W^+`$ through the equation: $`E_x(x,z=W^+)=_\alpha E_\alpha ^I\varphi _\alpha (x)`$, where $`\alpha `$ runs from $`N_L^I`$ to $`+N_R^I`$ ($`N_L^I`$ and $`N_R^I`$ are the number of grooves to the left and right of the slit in the input side, respectively). ($`E_\beta ^O`$) is related to the $`x`$-component of the electric field at the exit interface $`z=0^{}`$:$`E_x(x,z=0^{})=_\beta E_\beta ^O\varphi _\beta (x)`$, $`\beta `$ running from $`N_L^O`$ to $`+N_R^O`$ ($`N_L^O`$ and $`N_R^O`$ are the number of grooves to the left and right of the slit in the output side, respectively). In both expansions, sub-index $`0`$ stems for the central slit. After some elementary algebra, it is possible to find the set of $`(N_L^I+N_R^I+N_L^O+N_R^O+2)`$ equations that govern the behavior of \[$`E_\alpha ^I,E_\beta ^O`$\]:

$`\left[G_{\alpha \alpha }ϵ_\alpha \right]E_\alpha ^I+{\displaystyle \underset{\gamma \alpha }{}}G_{\alpha \gamma }E_\gamma ^IG_vE_0^O\delta _{\alpha 0}`$ $`=`$ $`I_\alpha `$ (1)
$`\left[G_{\beta \beta }ϵ_\beta \right]E_\beta ^O+{\displaystyle \underset{\eta \beta }{}}G_{\beta \eta }E_\eta ^OG_vE_0^I\delta _{\beta 0}`$ $`=`$ $`0`$
The first set of equations accounts for the expansion coefficients at the input interface and the sub-indexes $`\alpha `$ and $`\gamma `$ run from $`N_L^I`$ to $`N_R^I`$. Due to the normalization we use for the transmittance (see below), the illumination term $`I_\alpha `$ is equal to 2 for all $`\alpha `$. The second set of equations is homogeneous (the output interface is not directly illuminated), and $`\beta `$ and $`\eta `$ ranges from $`N_L^O`$ to $`N_R^O`$. Note that the only connection between the two interfaces is via the central slit and appears through the term $`G_vE_0^O\delta _{\alpha 0}`$ in the first set and by $`G_vE_0^I\delta _{\beta 0}`$ in the second one. In Refs. LMM03 ; FJ03  we explain in detail the origin and values of the different terms appearing in Eq.(1). For instance, $`G_{\alpha \beta }E_\beta `$ is the contribution to the $`E_x`$ field at indentation $`\alpha `$ coming from light scattered at indentation $`\beta `$. In fact, $`G_{\alpha \beta }`$ is the projection onto wavefields $`\varphi _\alpha `$ and $`\varphi _\beta `$ ($`G_{\alpha \beta }=<\varphi _\alpha G\varphi _\beta >`$) of the Green’s function: $`G(𝐫,𝐫^{})=\frac{ı\pi }{\lambda }H_0^{(1)}(k𝐫𝐫^{})`$, $`H_0^{(1)}`$ being the Hankel function of the first kind. $`G_{\alpha \alpha }=<\varphi _\alpha G\varphi _\alpha >`$ is a self-interaction that takes into account the coupling of the eigenmode at indentation $`\alpha `$ with the radiative modes in vacuum regions. This quantity depends only on the ratio between indentation width and wavelength of light, $`a_\alpha /\lambda `$. As said before, in this type of structures both sides of the corrugated metal film are only coupled by the term $`G_v`$ that is a function of metal thickness: $`G_v=1/\mathrm{sin}(kW)`$. The diagonal terms $`ϵ_\alpha `$ are related to the back and forth bouncing of the EM-fields inside indentation $`\alpha `$: $`ϵ_\alpha =\mathrm{cot}(kh_\alpha )`$ for $`\alpha 0`$ and $`ϵ_0=\mathrm{cot}(kW)`$ for the central slit. Once the values for \[$`E_\alpha ^I,E_\beta ^O`$\] are calculated, the total transmittance is a function of the amplitudes of the E-field at the entrance and exit of the central slit: $`T=Im\left\{E_0^IE_0^O\right\}/\mathrm{sin}(kW)`$.

Also the EM fields in real space can be expressed in terms of the set \[$`E_\alpha ^I,E_\beta ^O`$\]. For example, in the transmission region ($`z>0`$):

$$H_y(\stackrel{}{r})=\frac{1}{\mu _0c}\underset{\alpha }{}E_\alpha ^OG(\alpha ,\stackrel{}{r})$$
(2)
all other components of the EM field can be obtained from $`H_y(\stackrel{}{r})`$ for the polarization considered. Here $`G(\alpha ,\stackrel{}{r})=ık/2\varphi _\alpha ^{}(x)H_0^{(1)}(k|x\stackrel{}{u}_x\stackrel{}{r}|)𝑑x`$. Similar expressions can be obtained for the EM-fields in the reflection region and within the indentations.

## III Transmission properties

In Ref. FJ03  we analyzed, in a symmetric groove configuration, the conditions for having large transmittance, i.e. for having large E-field at the central slit. We identified three main resonant mechanisms: slit waveguide mode excitation (controlled by the metal thickness), groove cavity mode (controlled by the groove depths) and in-phase groove re-emission processes (that is maximum for wavelengths of the order of the period of the array, $`d`$). Large enhancements in the transmission for resonant wavelengths can be obtained when the three mechanisms coincide; this means that if we fix $`d`$ there is an optimum value of the depth of the grooves in which the optical transmission is maximum.

In this section we present results for the total transmittance $`T`$ of a system composed of a slit and, in the most general case, four periodic finite arrays of grooves. We normalize the transmittance to the incident flux in the direction normal to the metal surfaces and to the slit area. In this way $`T`$ for point particles would be $`1`$. Even with the simplifications introduced, the structure under study is still characterized by a large number of geometrical parameters. In this paper all indentation widths ($`a`$) are equal and the grooves arrays, when present, have all the same number of grooves ($`N`$). All results presented here are for $`a=40nm`$, $`N=10`$ and metal thickness $`W=200`$nm, which are typical values considered previously in related experiments (later on we will explain the reason for choosing this particular metal thickness).

For WDM it is convenient to have at least two wavelengths transmitted primarily through the structure. Let us select, arbitrarily and simply for proof of principle purposes, $`\lambda _1=500`$nm and $`\lambda _2=600`$nm. We consider first the even simpler system of a single slit flanked by just one groove array in the input side (IL). For the chosen values of $`a`$ and $`N`$, after an optimization process of $`d_L`$ and $`h_L`$ we find enhanced transmission at $`\lambda _1`$ for $`d_L=470`$nm,$`h_L=75`$nm. For this set of parameters, groove cavity mode excitation and in-phase groove re-emission mechanisms are tuned to appear at $`\lambda _1`$. The curve $`T(\lambda )`$ for this case is rendered in Fig. 2 (blue curve), showing clearly the transmission resonance at $`\lambda =500`$nm due to the presence of grooves (compare this curve with the black curve of Fig. 2, showing $`T(\lambda )`$ for a bare single slit). The green curve of Fig.2 presents the $`T(\lambda )`$ for a similar system, also with only one groove array next to the single slit but this time with lattice parameter $`d_R=560`$nm and groove depth $`h_R=95`$nm in order to have resonant transmission at $`\lambda =600`$nm. Also in Fig. 2 (red curve) we show $`T(\lambda )`$ for the case of a single slit flanked by the two groove arrays considered previously. This last curve shows that the transmission resonances associated to each of the arrays survive, although somehow modified, the close presence of the other array. The fact that when both arrays are present the transmission peaks at $`\lambda =500`$ and $`\lambda =600`$nm have the same height is neither casual nor reflects any hidden property of the system: simply the value of the metal thickness ($`W=200`$nm) has been tuned for this to be the case. Notice that similar transmission peak heights for the selected wavelengths is a bonus for WDM, and we just wanted to show that this condition may be fulfilled in this kind of structures. The case presented here is, however, not necessarily optimal. Probably it is possible to make the selected wavelengths to profit from slit waveguide resonances Porto99 ; Collin ; Takakura ; Sambles02  (the third enhancing transmission mechanism previously discussed) and get even larger transmittances. The inset to Fig. 2 shows that in asymmetric structures, as previously found for symmetric ones FJ03 , $`T(\lambda )`$ is mostly independent of the patterning of the output surface.

## IV Far-field angular distribution of transmitted light

In this section we present results for the far-field angular dependence of the radial component of the Poynting vector, $`S_r(\stackrel{}{r})`$, evaluated in the output region. In the subwavelength limit, the transmission angular distribution of this kind of systems depends only on the output corrugation, up to a constant that accounts for the transmittance at that wavelength LMM03 . Therefore, it is convenient to define the far-field angular transmission distribution $`I(\theta )rS_r^{nor}(\theta )`$ ($`rNd,\lambda `$), where $`\stackrel{}{S}^{nor}(\lambda ,\stackrel{}{r})=\stackrel{}{S}(\lambda ,\stackrel{}{r})/T(\lambda )`$. Recent studies in the optical Lezec ; LMM03  and microwave Hibbins02  regimes have found that $`I(\theta )`$ for a single slit flanked by grooves arrays in the output side shows beaming effects for certain frequency ranges. In Ref.Lezec  a phenomenological model, based on the hypothesis of the existence of a leaky wave running along the surface, was enough to explain the beaming phenomena. A subsequent first-principle model LMM03  supported the basics of the phenomenological approach and the origin of the leaky surface wave, and was in good agreement with the experimental data. Basically, beaming can be understood as follows: the EM field leaving the slit couples to a running surface wave (which is the result of self-consistent wandering back and forth of EM fields at the grooves, which act as surface scattering centers); this surface wave accumulates phase as it travels along the surface and it radiates to vacuum at the groove positions. So, for emission purposes, the groove array behaves as an effective diffraction grating, but illuminated at a (wavelength dependent) angle, which is related to the phase accumulated by the surface running wave. Actually, the emission intensity is different at the different radiating points of this equivalent diffraction grating, and must be calculated self-consistently from Eq.(1). However the final result shows that, at some angles, the extra optical path of waves leaving from different grooves cancel the phase of the running wave, resulting in a maximum in $`I(\theta )`$.

Both studies Lezec ; LMM03  previously referred to considered a symmetric distribution of grooves around the central slit and, therefore, showed a symmetric $`I(\theta )`$. In this paper we consider asymmetric structures, showing that beaming occurs even when a slit is flanked by just a single groove array. Also we show that, to a large extend, the beam produced by a groove array is not modified if a different groove array is placed also at the output metal surface but at the other side of the slit. This is illustrated in Fig.3 where panel (a) shows $`I(\lambda ,\theta )`$ for a system with a single groove array is placed in the OL configuration with geometrical parameters $`d_L=470`$nm and $`h_L=75`$nm. Notice that, in section 3, we found that this set of parameters are optimum in order to have enhanced transmission at $`\lambda _1=500`$nm. Fig. 3a shows that this asymmetric structure presents beaming for a range of wavelengths and that maximum beaming appears at the same resonant wavelength $`\lambda _1`$. It is worth noticing that even in this asymmetric case, maximum beaming occurs at $`\theta =0^0`$. A similar representation appears in panel (b), this time for an array of grooves in OR configuration with $`d_R=560`$nm and $`h_R=95`$nm which optimizes both transmission and $`I(\theta =0^0)`$ for $`\lambda _2=600`$nm. Panel (c) renders $`I(\lambda ,\theta )`$ when both OL and OR arrays previously considered are present in the structure. The overall picture, more precisely lines in the ($`\lambda \theta `$) plane showing large values of $`I(\lambda ,\theta )`$ corresponds to the addition of beaming lines of panels (a) and (b). However, panel (c) also shows that radiation coming from left and right groove arrays is not totally independent. Instead, there is a small shift in both wavelengths at which maximum beaming appears and the associated angles which now may move away from normal direction. This last fact will be of paramount importance in order to use this kind of structures as wavelength de-multiplexers.

## V Wavelength de-multiplexer device

The two abilities of these systems described in the two previous sections, namely i) the selective transmission of two wavelengths when structuring the input side of the metallic film (Section 3) and ii) beaming at the same two wavelengths in different well-defined directions (Section 4) can be combined to propose a new application of single apertures surrounded by finite arrays of grooves.: this kind of structures can be used as wavelength de-multiplexers of micro-meter dimensions. This new functionality is illustrated in Fig. 4 where $`rS_r(\theta )`$ in the far-field region is calculated for different wavelengths for a structure in which four groove arrays are present. Geometrical parameters of these arrays are essentially those considered in Fig.2(red curve) and Fig.3c, only that one of the grooves array in the input side has been slightly modified in order to obtain enhanced transmission at $`\lambda =530`$nm. For the two resonant wavelengths ($`\lambda =530`$nm and $`\lambda =600`$nm) light emerges in the form of very narrow beams presenting very low divergence (around $`5^0`$) and can be collected at an angle of $`6^0`$ for $`\lambda =530`$nm and $`0^0`$ for $`\lambda =600`$nm. Note that due to the interplay between the left and right grooves arrays in the output side, light of wavelength $`600`$nm can also be found at a larger collection angle of $`14^0`$. For the rest of wavelengths (see Fig.4) optical transmission is extremely low and its angular distribution is nearly uniform.

To further illustrate the resonant nature of this phenomenom, in Fig. 5 we show the near-field pictures (E-field intensity) in the output region corresponding to the transmission processes for the two resonant wavelengths ($`\lambda =530`$nm and $`\lambda =600`$nm) and for a non-resonant case ($`\lambda =700`$nm). For this wavelength, grooves are not playing any role; E-field intensity is low and the transmission angular distribution is rather uniform. However in the first two cases, as clearly seen in panels (a) and (b), light is emitted not only by the central slit but also by the grooves located at left and right sides of the aperture in the output side. As a result of the interference between these re-emission processes narrow beams of light emerge from the structure and are already present in the near-field regime. Fingerprints of the running surface waves that are at the origin of the beaming phenomena can also be visualized in these pictures.

In conclusion, we have shown how a single subwavelength aperture surrounded by finite arrays of indentations may be used as a wavelength de-multiplexer. The two selected wavelengths can be chosen by just modifying the geometrical parameters defining the structure (period of the arrays at left and right of the central slit and widths and depths of the indentations). A practical advantage of this type of plasmon wavelength de-multiplexer device with respect to others based on, for example, photonic crystals Noda  is that light emerging from our proposed device forms two collimated beams presenting both a very low divergence. This divergence can also be controlled and reduced by increasing the number of indentations in the output side. Implementation of this device to build up a multi-frequency de-multiplexer can be achieved by just adding up other single apertures and the corresponding indentations with the appropriate geometrical parameters to the structure analyzed in this communication. The fact that input and output corrugations seem to act independently and also that the interplay between left and right indentations is weak allows us to state that this type of structured metals could be used as building-blocks of several opto-electronic devices of reduced dimensions.

## Acknowledgements

Financial support by the Spanish MCyT under grant BES-2003-0374 and contracts MAT2002-01534 and MAT2002-00139 is gratefully acknowledged.


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# ‘Circles in the Sky’ in twisted cylinders

## Acknowledgments

I would like to thank FAPESP for the grant under which this work was carried out (contract 02/12328–6). I also thank B. Mota, A. Bernui and W. Hipólito–Ricaldi for useful conversations.


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# 1 Introduction

## 1 Introduction

Recent results by Prokopec et al  show that Proca electrodynamics for the photon mass can be obtained from Hartre-Fock approximation to scalar QED during inflation, which allows us to place upper bounds for the photon mass. Also recently Luo et al  photon mass bounds from rotatable torsion balance. Also recently gauge invariant vectorial photon mass in axionic electrodynamics, where the use of torsion is not mandatory  was obtained by M. Haugan and C. Lämmerzahl . Of course their electrodynamics is a test field theory for the Maxwell field and does not represent the dynamics of the Proca field. In this paper we follow reference  extending it to spacetime with torsion. In this paper we follow analogous computation to Andrianov et al  where they use a spinor QED modification to include Lorentz and CPT breaking axial-vector. Left and right polarized Proca-Cartan photons are obtained. Recently E. Aldelberger et al  showed that by considering a photon mass arising from a Higgs effect (longitudinal Goldstone boson) it is possible to destroy photon mass from vortices. They also show that photon mass vanish inside galaxies while become massive outside it. Such a phenomena of disapearence of photon mass can be thought here in the universe scale where torsion and inflation are shown to provide a mechanism to the photon mass decay. Another motivation for our work stems from the fact that Andrianov et al  considered the possibility that a small modification of spinor QED allows for the presence of massive photons where Lorentz and CPT non-covariant kinetic terms are present. The paper is organized as follows: In section $`2`$ we present the Proca-Cartan electrodynamics and place bounds on the massive photon-torsion coupling constant. In section $`3`$ we compute the conditions Cartan contortion and the cosmological constant should satisfy in order that the universe be free of massive photons. In this section we also place upper bounds for the cosmological constant in the present universe. In section $`4`$ the dispersion relation of plane waves is presented. In this section we also compute the photon mass bounds from known values for torsion obtained from Lorentz violation in cosmology  and also the torsion bounds from astrophysical stringent limits on the photon mass. Section $`5`$ deals with the conclusions and discussions.

## 2 Proca electrodynamics in torsioned spacetime

Earlier Garcia de Andrade and Sivaram  has proposed a non-minimal coupling Einstein-Cartan-Proca Lagrangian

$$L=\sqrt{g}[(1+\lambda A^2)R(\mathrm{\Gamma })\frac{1}{4}F_{ij}F^{ij}+J^iA_i]+KL_m$$
(1)
Besides the torsion vector may be interpreted as a massive (Proca) field and the Ricci-Cartan scalar is represented by $`R(\mathrm{\Gamma })`$, where $`\mathrm{\Gamma }`$ is the non-Riemannian connection. Here $`A^2:=A_iA^i`$ where $`(i,j=0,1,2,3)`$ and $`J^i`$ is the electromgnetic vector current. The constant $`\lambda `$ represents the massive photon-torsion coupling which we shall determine in this Letter. $`L_m`$ denotes the matter Lagrangean. Here we assume that the electromagnetic field tensor $`F_{ij}=_iA_j_jA_i`$ is semi-minimally coupled to the gravitational field. This was first proposed by de Sabbata and Gasperini  in the context of QED virtual photons associated with fermion anti-fermion pairs. In their approach the Maxwell tensor $`F^{\mu \nu }`$ does not couple with torsion through minimal coupling but couples with torsion only through the term $`\lambda R(\mathrm{\Gamma })A^2`$ on the non-minimally coupled Lagrangean (1). The photon mass comes from a dynamical relation between torsion and electromagnetic vector potential indicating that at least in first approximation the photon mass $`m_\gamma `$ is connected to Ricci-Cartan scalar. The electromagnetic equations are obtained by variation Lagrangean (1) w.r.t. $`A_i`$. Thus

$$_jF^{ij}=J^i\lambda R(\mathrm{\Gamma })A^i$$
(2)
where $`_j`$ is the Riemannian covariant derivative operator. To obtain the Proca equation we simply use the definition of the electromagnetic field with non-minimal coupling to torsion

$$\mathrm{}A^i+\lambda R(\mathrm{\Gamma })A^i=0$$
(3)
The Riemannian D’Lambertian is $`\mathrm{}=_i^i`$. Before we proceed let us take sometime to an important question, namely the of charge conservation in spacetimes with torsion . In our case this is simple if we redefine the currents

$$J_{}^{}{}_{}{}^{i}=J^i\lambda R(\mathrm{\Gamma })A^i$$
(4)
therefore charge would be conserved now if $`_{}^{}{}_{i}{}^{}J_{}^{}{}_{}{}^{i}=0`$. Here $`_{}^{}{}_{i}{}^{}`$ denotes the Riemann-Cartan covariant derivative operator. Note that if we also assume that $`_iJ^i=0`$ we are constraint to

$$A^i_i(R(\mathrm{\Gamma }))=0$$
(5)
where we use the Riemannian Lorentz gauge condition $`_iA^i=0`$. But even in this case this is enough for our purposes in this Letter since for the de Sitter spacetime in first approximation of torsion we have

$$A^i_i[R(\left\{\right\})+_0K^0]=0$$
(6)
because in de Sitter universe the Riemann-Ricci tensor $`R(\left\{\right\})=12\mathrm{\Lambda }`$ and this left us with the expression for contortion that vanishes since we may use the gauge $`(A^0=0,\stackrel{}{A})`$. Therefore as far as our purposes are concerned the presence of photon mass in spacetime with torsion does not violate local conservation of charge. From the Proca-Cartan equation one may write

$$m_{\gamma }^{}{}_{}{}^{2}=\lambda [12\mathrm{\Lambda }+_0K^0]$$
(7)
where $`K^0`$ is the time-component of the contortion vector $`K^i=ϵ^{ijkl}K_{jkl}`$ wher $`K_{ijk}`$ is the contortion tensor. Since $`\lambda `$ is a constant we shall assume that the cosmological constant here vanishes to compute it from well-known data of photon mass bounds . Making use of the bound $`m_\gamma 10^{42}GeV`$ one obtains the following inequality

$$\lambda _0K^010^{42}GeV$$
(8)
and

$$\lambda K^010^{42}R_UGeV$$
(9)
where $`R_U`$ represents the Hubble radius of the universe given by $`R_U=10^{28}cm`$. Substitution of this value into expresion (9) yields $`\lambda K^010^{38}eV`$. From this expression and the upper bound of contortion $`K^010^{32}eV`$ obtained by Lämmerzahl we obtain the following result $`\lambda 10^6`$ for the massive photon-torsion coupling. To better comparison with QED one may express this result in terms of the fine-structure constant $`\alpha `$ as $`\lambda 10^4\alpha `$. Note that this coupling constant is low w.r.t. to the Maxwell theory. This result would be expected since the coupling torsion is in general a very weak field compared to other fields like the electromagnetic field and Einstein curvature gravitational field. One notes that this limit is however not so stringent as ours. In their lagrangean the Ricci tensor in formula (1) is absent.

## 3 Cosmological constant from torsion

Since as we mention before the massive photons could be destroyed by vortices and vortices can be easily associated with torsion, would be natural to think that in same way torsion and inflation could be also responsible by the absence of massive photons in expanding universes. Therefore to check for the physical effects of this assumption we assume from the beginning that we can put the photon mass equal to zero in equation (7). An immediate result is

$$\mathrm{\Lambda }=\frac{_0K^0}{12}$$
(10)
Since torsion is a positive function we conclude that if $`\mathrm{\Lambda }<0`$ contortion does not decrease in time in this universe. However, this is an unphysical assumption since otherwise we would have already detected torsion in the present universe. Therefore our assumption of a positive cosmological constant is consistent with a universe with torsion  devoided of massive photons. Let us now compute the cosmological constant from the $`\lambda `$ value obtained in the previous section and the expression

$$\mathrm{\Lambda }=\frac{K^0}{12}R_{U}^{}{}_{}{}^{1}$$
(11)
which is derived from (10). For the value of $`K^0`$ we use again the bound computed by Garcia de Andrade  given by $`K^010^{32}eV`$. A quick computation yields $`\mathrm{\Lambda }10^{56}cm^2`$ for the present value of the cosmological constant. Of course this result gives yet more support to cosmologists which do not take the cosmological constant into account in the present cosmological models.

## 4 Damping of plane waves and photon mass bounds from torsion

Recently Haugan and Lämmerzahl  have proposed a test theory for Maxwell field based on a vectorial photon mass. Their Maxwell generalised equation is gauge invariant and the eletromagnetic plane wave present anisotropy dispersion and damping. In this section we show that only isotropic dispersion appears in our case while contortion is a source of damping for the electromagnetic plane wave. Let us consider the Proca equation and the electromagnetic potential given by

$$A^r=A_{0}^{}{}_{}{}^{r}e^{i(k_lx^l)}$$
(12)
where the amplitude $`A_{0}^{}{}_{}{}^{r}`$ is not necessarily constant throughout spacetime. Substitution of expression (12) into Proca equation yields

$$\mathrm{}A_{0}^{}{}_{}{}^{r}+i[k_lk^lA_{0}^{}{}_{}{}^{r}+2k^l_lA_{0}^{}{}_{}{}^{r}]+\lambda _0K^0A_{0}^{}{}_{}{}^{r}=0$$
(13)
To simplify matters we consider now that the amplitude of electromagnetic waves is constant, namely plane electromagnetic waves, and that the Riemannian Ricci tensor also vanishes. This Riemann-flat case is justified since in this section we are interested more on the torsion rather than curvature effects. This reduces equation (13) to

$$ik_lk^l+\lambda _0K^0=0$$
(14)
Solving the dispersion relation (where $`k^lk_l=\omega ^2\stackrel{}{k}^2`$) one obtains

$$\omega =\pm |\stackrel{}{k}|\sqrt{1+i\frac{\lambda _0K^0}{|\stackrel{}{k}|^2}}$$
(15)
$$\omega \pm |\stackrel{}{k}|[1+i\frac{\lambda _0K^0}{2|\stackrel{}{k}|^2}]$$
(16)
From this expression we note that contortion induces a damping into the electromagnetic plane wave but contrary to previous test theories of the Maxwell field there is no anisotropy dispersion of plane waves on the torsioned background. Therefore here we do not have Lorentz violation. For other test Maxwell theories which possess Lorentz violation the we refer to reference . Now let us assume that the cosmological constant vanishes in the actual universe and that locally only torsion and massive photons matters in this pedestrian cosmological model. Thus from expression (7) one obtains

$$m_{\gamma }^{}{}_{}{}^{2}=\lambda K^0R_{U}^{}{}_{}{}^{1}$$
(17)
Substitution again of the bounds for contortion one obtains the following upper bound for photon mass $`m_\gamma 10^{44}GeV`$. This bound is two orders of magnitude more stringent than the best value known so far which is $`m_\gamma 10^{42}GeV`$. The PDG presented $`m_\gamma 10^{25}GeV`$ in his 2002 data table.

## 5 Discussion and conclusions

In this brief report we have shown that a Proca electrodynamics in de Sitter universe with torsion may provide a simple model and laboratory to compute upper bounds for some of the most intriguing physical objects in nature, namely the cosmological constant and massive photons ,not to mention Cartan geometrical torsion itself. On the other hand to base this model on a cosmological model with torsion allows us to conclude that a stronger basis for this kind of cosmology can be given as a physical theory. Besides these data other physical support to cosmology with torsion have been established recently through the investigation of Einstein-Cartan cosmologies with and without propagating torsion by Lasenby et al  and myself  using COBE and CHANDRA data. Our model may also serve to a departuring point to investigate more complicate models like Friedmann or anisotropic models in the Early universe where torsion, cosmological constant and even massive photons may play a more fundamental role. Besides models like the Einstein-Cartan-Kalb-Rammond developed by SenGupta et al  could be generalized to allow for photon mass spectrum. The extremely low value for torsion used in this paper in the present universe was alternatively recentely explained by Mukhopadhyaya et al  on the basis of Randall-Sundrum scenario. Bounds on torsion parameters have been also recently given by Mahanta and Raychaudhuri . Photon mass models with torsion in the context of Kaluza-Klein theory has been recently considered by C. Kohler . In his approach a five-dimensional unification between the cosmological constant and photon mass in terms of Einstein-Cartan theory is also given, however, his relation between photon mass and cosmological constant does not depend on contortion and no attempt is made of placing upper bounds neither to photon mass nor to cosmological constant or even torsion.

## Acknowledgements

I am very much indebt to Professors F. W. Hehl, S.P. Sorella, R. Ramos and Dr. C. Lämmerzahl for useful discussions on the subject of this paper. One of (GA) would like to thank CNPq. (Brazilian Research Council) and Universidade do Rio de Janeiro for financial support.


text:
# Magnetic susceptibility and heat capacity investigations of the unconventional spin-chain compound Sr3CuPtO6

## I Introduction

A new class of one-dimensional (1D) magnetic compounds with the general formula A3XYO6 (A = Sr, Ca; X, Y = transition metals) has attracted particular interest recently. stitzer  These materials crystallize in a K4CdCl6-type rhombohedral structure, which consists of infinite chains built up of alternating face-sharing YO6 octahedra and XO6 trigonal prisms. These YO6-XO6 chains are separated from each other by A2+ cations and constitute a hexagonal cross-sectional arrangement perpendicular to the chain direction. Depending upon the nature and the oxidization states of the cations at the X and the Y sites, these materials present a range of low dimensional magnetic phenomena. nguyen  In this class of materials, Sr3CuPtO6 is reported to be a spin half Heisenberg antiferromagnet (AFM) chain compound. claridge ; nguyen ; science

From a crystallographic point of view, Sr3CuPtO6 does not constitute an ideal linear spin chain structure hodeau . Firstly, due to the presence of Cu2+ cations at the X site, the K4CdCl6-type rhombohedral structure undergoes a monoclinic distortion. The Pt4+ ions stay at the center of the PtO6 octahedra maintaining a linear structure, whereas the Cu2+ ions move from the center of the CuO6 trigonal prisms to their faces. Successive Cu2+ ions on a chain are displaced away from the chain axis in opposite directions, resulting in a zigzag chain structure with a Cu-Cu bond angle of 160.94o (see Fig. 1). Secondly, along each chain, neighboring $`S=\frac{1}{2}`$ Cu2+ ions are separated by a Pt4+ ion. In the presence of a strong octahedral crystal field, the Pt4+ ions adopt a low spin ground state with zero effective spin. This results in a $`\frac{1}{2}`$—0—$`\frac{1}{2}`$—0—$`\frac{1}{2}`$….. type of spin chain structure in which the $`S=\frac{1}{2}`$ inter-spin separations parallel and perpendicular to the chains are almost equal. Prompted by this fact, Claridge et al. claridge  analyzed the magnetic susceptibility data of Sr3CuPtO6 considering both intra-chain ($`J`$) and inter-chain ($`J^{}`$) couplings among the Cu2+ ions. From their analysis, using a modified Bonner and Fisher model hatfield , they reported that $`J`$ = 24.7 K and $`J^{}`$ = 7.3 K. Since $`J`$/$`J^{}`$ $``$ 3, they concluded that the compound should not be considered as a 1D magnetic system. However, the broad maximum observed in the magnetic susceptibility data claridge ; nguyen  gives a strong indication that the compound does indeed have the characteristics of a low-dimensional magnetic system. As a result, the magnetic status of Sr3CuPtO6 remains unclear.

In this paper, we present the results of a thorough investigation of the magnetic susceptibility and heat capacity behavior of single crystal samples of Sr3CuPtO6. While there have been studies of the magnetic susceptibility of this compound claridge ; nguyen ; irons , the present paper reports the first investigation of the heat capacity of this material. Despite the fact that heat capacity can provide important information about the magnetic character of spin chain systems, very little heat capacity data have been published to date for the A3XYO6 class of compounds niazi ; hardy ; rayprol ; kausik .

The theoretical model of Bonner and Fisher has been successfully used in the past to fit the experimental susceptibility data for $`S=\frac{1}{2}`$ spin chain systems bonner . This model is based on the extrapolation of numerical calculations for a finite number of spins ($``$ 11) and is valid in a limited temperature range ($`T\frac{1}{2}J`$, where $`J`$ is the intra-chain coupling constant in kelvin). Recently Klümper, Johnston, and co-workers johnston ; klumper  have used the Bethe anstatz approach to formulate a model for the $`S=\frac{1}{2}`$ Heisenberg spin chain system, which should be valid over the entire temperature range. This model is an extension of previous theoretical work eat ; lukyanov . In the present paper, the majority of the fitting has been carried out using this new analytical model proposed by Johnston and co-workers (hereafter called the Johnston model) johnston . The Bonner-Fisher model has also been used for comparison. Throughout the paper, we have adopted the convention where the spin Hamiltonian, $``$, is defined as $``$ = $`2Jk_B_i𝐒_i.𝐒_{i+1}`$ , where $`𝐒_i`$ is the $`i`$-th spin on the chain and $`k_B`$ is the Boltzmann constant.

## II Experimental details

The needle shaped crystals of Sr3CuPtO6 used in this investigation were prepared by a K2CO3 flux method as described in reference claridge . The crystals were analyzed by x-ray diffraction using Mo $`K_\alpha `$ radiation on a Bruker Nonius Kappa CCD single crystal x-ray diffractometer. The cell refinement showed that the crystals have a monoclinic structure (space group C2/c) with lattice parameters $`a`$ = 9.34(1) Å, $`b`$ = 9.64(1) Å, $`c`$ = 6.68(1) Å and $`\beta `$ = 91.91(5)o, which are in good agreement with the literature hodeau . The rod axis of the crystals was found to be along the  direction, which coincides with the CuO6-PtO6 chain direction. The magnetic susceptibility measurements were carried out using a Quantum Design SQUID magnetometer in the temperature ($`T`$) range 2-400 K with the applied magnetic field ($`H`$) parallel to the chain direction. The zero field heat capacity ($`C`$) measurements were performed by a relaxation method using a Quantum Design Physical Properties Measurement System (PPMS). The $`C`$ versus $`T`$ data in the temperature range 1.9 to 300 K were recorded with a conventional 4He insert, whereas, the data collected below 1.9 K were recorded using a 3He refrigerator option. Since the mass of each crystal is typically $``$ 1-2 mg, an assembly of 6 crystals, with their rod axis aligned, were used for both the magnetization ($`M`$) and the heat capacity measurements.

In order to obtain information about the short range magnetic correlations from the heat capacity data, it is necessary to estimate the lattice contribution to the heat capacity ($`C_{lat}`$). It is therefore, important to measure a non-magnetic reference compound with the same crystal structure and containing elements with similar masses. For this purpose, a ceramic sample of the isostructural compound Sr3ZnPtO6 was prepared by the usual solid state reaction technique christina . This compound was found to be essentially nonmagnetic. The small Curie constant $`c_{cw}2.6\times 10^3`$ emu/K-mol, derived from the magnetic susceptibility versus temperature data for Sr3ZnPtO6, corresponds to only 0.1% of the Pt4+ ions on the prismatic sites being in the high-spin ($`S`$ = 2) magnetic state.

## III Results

### III.1 Susceptibility

Figure 2 shows the magnetic susceptibility ($`\chi =M/H`$) versus temperature data of Sr3CuPtO6 in the temperature range 2-400 K with the applied magnetic field (10 kOe) along the  direction. The low temperature $`\chi (T)`$ data show a rise with decreasing temperature below 10 K, similar to that observed in a previous investigation claridge  on this compound. Such a feature has also been observed in a number of other spin chain compounds matsuda ; kiryukhin  and it is generally thought to arise from the presence of broken chains and/or paramagnetic impurities; both effects lead to a Curie like term. liu  At intermediate temperatures, the susceptibility versus temperature data shows a broad peak around 32 K, which is typical of short range magnetic order in a spin chain system. The high temperature data (250-400 K) shows Curie-Weiss behavior along with a temperature independent positive term $`\chi _0`$.

For a quantitative analysis of the susceptibility versus temperature data, we express $`\chi `$ as a sum of three terms as in reference motoyama  with

$$\chi =\chi _{add}+\chi _0+\chi _{chain}$$
(1)
The term $`\chi _{add}`$ = $`c_{add}/(T\theta _{add})`$ is a Curie-like term coming from broken chains or paramagnetic impurities in the system. The term $`\chi _0`$ is a combination of the van Vleck paramagnetic term and the diamagnetic contributions from the atomic cores. $`\chi _{chain}`$ is the contribution coming from the 1D magnetic correlations among the spins. This can be approximated using the Johnston model (equation (50) of reference johnston ) for the $`S=\frac{1}{2}`$ uniform linear chain system where we write $`\chi _{chain}(T)`$ = $`\chi \{J,g\}(T)`$ where $`J`$ and $`g`$ (Landé $`g`$ factor) are the free parameters. With these considerations, we have fitted our $`\chi (T)`$ data to equation 1 in the temperature range 2-400 K (solid line in Figure 2). The good quality of the fit over the full temperature range indicates that the Johnston model can be used to describe the susceptibility behavior of Sr3CuPtO6. The parameters obtained from the fitting are: $`J`$ = 25.7(1) K, $`g`$ = 2.050(3), $`\chi _0`$ = 8.1 (7)$`\times `$10-5 emu/mol, $`c_{add}`$ =0.0055(1) emu-K/mol and $`\theta _{add}`$ = -0.14 (5) K. Similar fitting for $`T>`$ 13 K ($`\frac{1}{2}J`$), using the Bonner-Fisher model for $`\chi _{spin}`$, produces a value of $`J`$ = 25.3(1) K, which compares well with the result obtained using the Johnston model. The value of $`J`$ is also in good agreement with the value (26.1 K) estimated by Nguyen et al. science  using the Bonner-Fisher model.

The Curie constant associated with $`\chi _{add}`$ corresponds to a moment of 1.73 $`\mu _B`$ residing on $``$ 1.5% of the Cu atoms present in the sample. The value of $`\chi _{add}`$ remains practically unchanged if one sets $`\theta _{add}`$ = 0. This concentration of free Cu2+ ions is comparable with the values previously reported in some other Cu2+ based spin chain compounds matsuda ; kiryukhin .

At high temperatures (250-400 K), the 1/($`\chi (T)\chi _0`$) versus $`T`$ plot (see inset of the upper panel) is found to be linear with the value of $`\chi _0`$ obtained from the global fitting (2-400 K) of our data to equation 1. This is expected, because at high temperatures, $`\chi _{add}`$ becomes negligible and $`\chi _{spin}`$ reduces to a Curie-Weiss term. Additional confidence in the reliability of this $`\chi _0`$ value comes from fitting the high temperature $`\chi (T)\chi _0`$ data to a simple Curie-Weiss expression, where one finds an effective moment $`p_{eff}`$ = 1.77(2) $`\mu _B`$/Cu2+, which is close to the theoretical value (1.73 $`\mu _B`$), and a paramagnetic Curie temperature $`\theta _p`$ = -26 ($`\pm `$ 2) K that compares well with the $`J`$ value as expected for an $`S`$ = $`\frac{1}{2}`$ spin chain system.

The lower panel of figure 2 is an expanded view of the susceptibility data below 60 K, showing the total $`\chi (T)`$ (filled circles), the $`\chi _{chain}`$ data (open circles) and a fit using the Johnston formula (solid line). It should be noted that even on this expanded scale, the overall agreement of the $`\chi _{chain}`$ data to the Johnston fitting is found to be good. However, below $``$ 20 K a discrepancy between the experimental data and the fitted line appears. In fact, the change in the slope expected in the Johnston model around $`T`$ 0.4$`J`$ K (about 10 K in the present case), is not present in our data. Given the fact that Sr3CuPtO6 has an unconventional chain structure, some departures in the magnetic behavior from the theoretical model are not unexpected. Nevertheless, it must also be borne in mind that in the temperature range considered here, the $`\chi _{chain}`$ data is very sensitive to the subtraction of $`\chi _{add}`$, which may introduce some uncertainty in the resulting $`\chi _{chain}`$ values.

In order to better understand the low temperature behavior of Sr3CuPtO6, it is useful to investigate the temperature dependence of the heat capacity of this system, which is expected to be much less affected by additional contributions from broken chains or paramagnetic impurities.

### III.2 Heat capacity

The total heat capacity of Sr3CuPtO6 as a function of temperature (1.9-300 K) is shown in figure 3a (inset). This data contains no signature of long range magnetic ordering in this temperature range. Figure 3 also depicts the $`C(T)`$ of the nonmagnetic isostructural compounds Sr3ZnPtO6. At low temperatures (below about 50 K), $`C_{tot}`$(Sr3CuPtO6) is larger in value than $`C_{tot}`$(Sr3ZnPtO6). This is clearly due to an additional contribution to the heat capacity of magnetic origin for the Cu compound. It is expected that the magnetic contribution to $`C_{tot}`$(Sr3CuPtO6) should tend to zero at high temperatures. There is a difference between $`C_{tot}`$(Sr3ZnPtO6) and $`C_{tot}`$(Sr3CuPtO6) even at 300 K, which is due to the mass difference of the Cu and the Zn atoms. In order to calculate the lattice contribution, $`C_{lat}`$, of Sr3CuPtO6 from the heat capacity data of Sr3ZnPtO6, a careful mass correction to the data is required. In the present case we have used a phenomenological scaling of the Debye temperature ($`\mathrm{\Theta }_D`$) with two scaling factors (see appendix) to obtain the $`C_{lat}`$ from the heat capacity of the non-magnetic reference sample. It should be noted that the scaling for $`C_{lat}`$ has only a weak effect at low temperatures. $`C_{lat}`$(Sr3CuPtO6) is almost superimposed onto $`C_{tot}`$(Sr3ZnPtO6) below about 40 K. Since this is the region of interest for the analysis of the 1D magnetic features, these should not be significantly affected by any imperfection in the model used to derive $`C_{lat}`$(Sr3CuPtO6).

The lower panel of figure 3 shows the magnetic contribution to the heat capacity of Sr3CuPtO6, $`C_{mag}(T)`$, that was obtained by subtracting the lattice contribution $`C_{lat}(T)`$ from the total heat capacity $`C_{tot}(T)`$. The main feature is a broad peak at low temperature, as expected in a 1D magnetic system bonner . In their theoretical investigation of $`S=\frac{1}{2}`$ Heisenberg antiferromagnetic chains, Johnston et al. johnston  have proposed analytical expressions for the temperature dependence of the heat capacity. The solid line in figure 3 is the curve predicted by this model (equations 54a-c of reference johnston ) for $`J=25.5`$ K. It is worth emphasizing that there are no free parameters other than $`J`$ in this model. On the scale of Figure 3, only curves obtained using a narrow range ($`\pm `$ 0.5 K) of $`J`$ values around 25.5 K provide good overall agreement with the experimental data. The curve corresponding to $`J`$ = 25.5 K gives the best fit for $`T<\frac{1}{2}J`$ and the quality of the agreement is quite satisfactory up to about 40 K. Above $`T50`$ K, the $`C_{mag}(T)`$ data clearly departs from the model, a behavior which can be ascribed to the uncertainty in the estimation of $`C_{lat}`$ (for instance, at $`T`$ 60 K, the expected magnetic contribution is just 2% of the measured total heat capacity). In the Bonner-Fisher model, the intra-chain coupling is related to the temperature $`T_{max}`$ corresponding to the maximum in $`C_{mag}(T)`$ data as $`T_{max}`$ 0.962$`J`$. Considering $`T_{max}`$ in the range 24-25.5 K, one obtains $`J`$ value lying between 25 K and 26.5 K, which is in good agreement with the value of $`J`$ given by the Johnston model above.

The inset in the lower panel of figure 3 displays the temperature dependence of the magnetic entropy derived by $`S_{mag}(T)=_0^T(\frac{C_{mag}(T^{})}{T^{}})𝑑T^{}`$entropy  One observes that the calculated entropy saturates slightly below the theoretical value, $`R\mathrm{ln}2`$ = 5.76 J/mol-K, expected for $`S`$ =1/2. This apparent missing entropy probably just reflects the uncertainty in the estimation of $`C_{lat}(T)`$.

In order to get a more comprehensive view of the 1D magnetic behavior of Sr3CuPtO6, we have extended our heat capacity measurement down to 0.35 K. Figure 4 shows the $`C_{mag}/T`$ versus $`T`$ data below 11 K, while the inset in figure 4 shows the temperature dependence of the $`C_{mag}`$ data below 6 K. Around 1.5 K, $`C_{mag}`$ contains a small feature (which is more clearly visible in the $`C_{mag}/T`$ versus $`T`$ plot), and then tends smoothly to zero as $`T`$ is decreased further. This may be a signature of three dimensional (3D) long range magnetic ordering or of a spin-Peierls-like transition. However, the occurrence of such a transition appears to be in contrast with the work of Irons et al. irons , who reported the absence of any anomaly in the a.c. susceptibility measurements down to 0.27 K on a polycrystalline sample of Sr3CuPtO6. In order to understand the significance of this feature, further investigations based on neutron scattering measurements are required. For the present analysis, we decided to restrict ourselves to the temperature range $`T`$ 2 K, for which $`C_{mag}`$ is presumably related to the short range intra-chain coupling only.

In case of an AFM spin chain system like Sr3CuPtO6, $`C_{mag}`$ is expected to show a linear $`T`$ dependence, $`C_{mag}=\gamma _{mag}T`$, at low temperatures (approximately, $`T<J/5`$ which is below 5 K in our case). Our $`C_{mag}(T)`$ data in figure 4 (inset) shows a quasi-linear behavior in the temperature range 2-6 K, but clearly extrapolates to a finite $`T`$ intercept of about 0.5 K at $`C_{mag}`$ = 0. Such a behavior suggests the possibility of a small gap of $`\mathrm{\Delta }`$ 0.5 K in the spin excitation spectrum. Although, a spin gap should not exist in case of a uniform $`S=\frac{1}{2}`$ spin chain system, the possibility of a gap cannot be ruled out in the case of Sr3CuPtO6, with its unconventional spin chain structure.

In figure 4, we have shown $`C_{mag}/T`$ behavior predicted by the Johnston model (down to $`T`$ = 1 K) with $`J`$ = 25.5 K along with the experimental data. While the Johnston model well represents the experimental data down to 5 K, a deviation is visible in the low temperature data. The experimental $`C_{mag}/T`$ contains a clear downward curvature below 5 K, which is absent in the Johnston model that shows a rather constant $`C_{mag}(T)/T`$ behavior consistent with the expected linear $`T`$ dependence of the $`C_{mag}`$ data in this temperature range (1-5 K). This departure from the Johnston model behavior around 5 K cannot be simply attributed to the small feature observed around 1.5 K. If a spin gap is responsible for such a departure, to a first approximation, it can be accounted by a phenomenological relation $`C_{mag}^\mathrm{\Delta }/T=\gamma _{mag}^\mathrm{\Delta }exp(\mathrm{\Delta }/T)`$ at low temperatures. The dotted line in figure 4 shows the fitting of $`C_{mag}^\mathrm{\Delta }/T`$ to the data in the temperature range 2-5 K along with an extrapolation slightly below and above 2 K and 5 K respectively. The parameters estimated by the fitting are found to be $`\gamma _{mag}^\mathrm{\Delta }`$ = 0.128 JK-2mol-1 and $`\mathrm{\Delta }`$ = 0.64 K. This phenomenological spin gap model can account for the downward curvature in the $`C_{mag}(T)/T`$ data below 5 K. According to the Johnston model, for a $`S=\frac{1}{2}`$ AFM spin chain, the coefficient of the linear term ($`\gamma _{mag}`$) in $`C_{mag}`$ is related to the intra-chain coupling parameter as $`\gamma _{mag}=R/3J`$, where $`R`$ is the universal gas constant. Although, strictly speaking, this relation is valid for an ideal gap-less spin chain system, we have used the relation in the present context to estimate the value of $`J`$. The value of $`J`$, obtained by inserting the value of $`\gamma _{mag}^\mathrm{\Delta }`$ in the above relation, is found to be 22.2 $`\pm `$ 0.5 K, which is close to the values of $`J`$ obtained from other methods.

## IV Discussion

The present magnetic susceptibility and heat capacity investigations on single crystals of Sr3CuPtO6 show that there is a good overall agreement between our experimental data and the theoretical predictions for an $`S`$ = $`\frac{1}{2}`$ Heisenberg AFM spin chain system. The values of the characteristic coupling parameter $`J`$, obtained from different measurements, are reasonably consistent.

Such good agreement with standard spin chain models is rather surprising for a compound whose one-dimensional magnetic character was recently questioned claridge ; irons . The doubts raised were based upon the large value of the inter-chain coupling parameter ($`J^{}`$), derived from an analysis of the magnetic susceptibility, leading to a ratio $`J/J^{}`$ 3. Our susceptibility analysis discussed so far in the text has been performed without considering any inter-chain coupling parameter (i.e., $`J^{}`$ = 0). In order to get an idea of the inter-chain coupling parameter, we have reanalyzed our susceptibility data with the relation proposed by Hatfield hatfield  and previously used by Claridge et al. claridge . We found that this mean field approach can improve the quality of the fitting with the addition of an AFM inter-chain coupling parameter. The best fit is obtained for $`J`$ = 25.1 ($`\pm `$ 0.1) K and $`J^{}`$ = 4.3 ($`\pm `$ 0.2) K. The $`J^{}`$ value is slightly less but still comparable with the value 7.3 K reported by Claridge et al. claridge . However, one should be careful in interpreting the value of $`J^{}`$ from this kind of analysis. For low dimensional magnetic systems (with small and weakly $`T`$-dependent $`\chi `$), the introduction of an additional fitting parameter, $`J^{}`$, can often lead to unphysical results. In the case of Sr3CuPtO6, such a large value of $`J^{}`$ appears to be inconsistent with the global magnetic behavior, particularly the absence of long range magnetic order down to 2 K. A finite value of the inter-chain coupling should eventually lead to a three dimensional ordering at a temperature $`T_N`$ and theoretical models have established relationships between $`T_N`$ and the coupling parameters ($`J`$ and $`J^{}`$) for the weakly coupled linear chain systems. For $`S`$ = $`\frac{1}{2}`$ AFM Heisenberg chains, the model proposed by Oguchi oguchi , based on a Green’s function method, has been used extensively dejongh . Recently, Schulz schulz  has proposed another model relating $`T_N`$, $`J`$ and J for weakly coupled $`S`$ = $`\frac{1}{2}`$ chains, which is based on a mean-field approximation for the inter-chain coupling and exact results for the resulting effective 1D problem. Both these models deal with a square lattice of the spin chains and as outlined by Lines et al. lines , corrections are required to apply these models to systems with a hexagonal arrangement of spin chains, as is the case for Sr3CuPtO6. With $`J`$ = 25.5 K, and $`T_N`$ 2 K (since, there is no 3D order at least down to 2 K), both the Oguchi and the Schulz models predict an upper limit for the inter-chain coupling constant $`J^{}`$ of 0.2 K. Therefore, it is clear that the large value of $`J^{}`$ derived previously, by fitting the Hatfield model to the susceptibility data, may not be reliable. With $`J^{}`$ 0.2 K, one obtains the lower boundary of the ratio of the intra-chain and inter-chain coupling parameters to be approximately 130 ($`J/J^{}`$ 130) and this ratio is more consistent with the 1D magnetic character of Sr3CuPtO6.

Now the question is how to reconcile such a large $`J/J^{}`$ ratio with the fact that the distance between two neighboring Cu2+ ions is approximately the same along and perpendicular to the chain. It is well known that the strength of the exchange coupling not only depends upon the distance, but also on the nature of the exchange pathway. From the viewpoint of the mediation of the exchange interaction between Cu2+ ions, the situation is very different parallel and perpendicular to the chains. Although the Pt4+ ions located in between the Cu2+ ions along the chains are in the low spin state ($`S`$ = 0), they possess unfilled 3$`d`$ orbitals and can thus participate in the exchange interaction. A similar mechanism cannot be expected for the Sr2+ ions located in between the CuO6-PtO6 chains. Such a difference in the exchange pathway can qualitatively explain the large $`J/J^{}`$ ratio in Sr3CuPtO6.

Finally, let us consider the low temperature (0.35-6 K) heat capacity data for Sr3CuPtO6, which revealed some deviation from the $`S=\frac{1}{2}`$ 1D AFM Heisenberg model. Although, they are also visible in $`\chi _{chain}`$ data (figure 3), such deviations can be studied more precisely in $`C_{mag}`$ data. The latter data led us to propose the existence of a small energy gap in the spin excitation spectra. A uniform half-odd integral spin chain system is supposed to be gapless lieb . One simple explanation for the origin of a small gap is a weak modulation in the strength of the exchange interaction along the chain bonner2 . The zigzag nature of the spin chain in Sr3CuPtO6 may result in such a modulation. carlin .

In conclusion, we have performed a detailed investigation of the magnetic susceptibility and the heat capacity behavior of the compound Sr3CuPtO6. The use of a nonmagnetic iso-structural compound (Sr3ZnPtO6) has enabled us to extract the magnetic contribution to the heat capacity. Both the magnetic susceptibility and the heat capacity were found to be consistent with the Johnston and Bonner-Fisher models for an $`S=\frac{1}{2}`$ AFM spin chain, with similar values of the intra-chain coupling parameters ($`J`$ 25.5 K). Based on the fact that there is no long range magnetic order observed in this system, at least down to 2 K, the lower limit of the ratio of the intra-chain and inter-chain coupling parameters is expected to be $``$ 130. These observations, in contrast to the previous reports claridge ; irons , clearly identify Sr3CuPtO6 as a $`S`$ = $`\frac{1}{2}`$ spin chain compound with 1D magnetic character. Deviations from the 1D uniform $`S=\frac{1}{2}`$ Heisenberg models were observed in the low temperature regime, which indicate the possible existence of a gap in the spin excitation spectum.

We acknowledge the financial support of the EPSRC (UK) for this project.

*

## Appendix A Calculation of $`C_{lat}`$

According to the Debye model of lattice heat capacity,

$$C_{lat}(T)=3pRD[\theta _D(T)/T]$$
(2)
where $`p`$ is the number of atoms per molecule, $`R`$ is the gas constant, $`\theta _D(T)`$ is the Debye temperature, and $`D(x)=(3/x^3)_0^x[z^4e^z/(1e^z)^2]𝑑z`$ is the Debye function. The problem of finding $`C_{lat}`$ for a magnetic sample reduces to the problem of deriving the Debye temperature of the magnetic sample, $`\theta _D^{sam}(T)`$ from that of a non-magnetic isostructural reference compound, $`\theta _D^{ref}(T)`$, which can be directly derived from the total heat capacity $`C_{tot}(T)`$ of the reference sample by inverting equation 2. A one parameter scaling of the Debye temperature ($`\theta _D^{sam}(T)`$ =$`r\theta _D^{ref}(T)`$)(where $`r`$ is a constant) is found to be inadequate as there is no $`r`$ value leading to a $`C_{lat}`$(Sr3CuPtO6) which tends to $`C_{tot}`$(Sr3CuPtO6) at 300 K, while lying below it for $`T<`$ 300 K. The former requirement is based on the fact that at 300 K, the theoretical magnetic contribution to the heat capacity for $`S=\frac{1}{2}`$ Heisenberg chain with $`J`$ 25 K, is expected to be only 0.02% of the total heat capacity of Sr3CuPtO6. The failure of this one parameter scaling led us to use an extension of this approach with two phenomenological factors, corresponding to the highest ($`T_H`$) and lowest ($`T_L`$) temperatures of our data. We can express $`\theta _D^{ref}(T)=\theta _D^{ref}(T_L)+[\theta _D^{ref}(T_H)\theta _D^{ref}(T_L)]f(T)`$, where $`f(T)`$ is a function such as $`f(T_L)=0`$ and $`f(T_H)=1`$. Owing to the structural equivalence of the magnetic and the nonmagnetic reference compounds, we assumed that $`\theta _D^{sam}(T)`$ can be approximated by a similar expression, keeping the same function $`f(T)`$. The $`\theta _D^{sam}`$ values at $`T_L`$ and $`T_H`$ are related to their counterparts in the reference sample by two adjustable parameters: $`\theta _D^{sam}(T_L)=r_1\theta _D^{ref}(T_L)`$, and $`\theta _D^{sam}(T_H)=r_2\theta _D^{ref}(T_H)`$. The parameter $`r_2`$ was determined from the requirement that $`C_{mag}`$ should vanish at $`T_H`$, resulting in a $`C_{lat}`$ that tends to $`C_{tot}`$ at $`T_H`$. For the present case of Sr3CuPtO6 with Sr3ZnPtO6 as the reference sample, the single parameter correction factor ($`r`$)(which is valid in the low $`T`$ region i.e., $`T\mathrm{\Theta }_D`$ only) estimated from the difference in the mass of the atoms is almost equal to 1 bouvier . Therefore, the parameter $`r_1`$ was chosen as the smallest value for which $`C_{lat}`$ does not cross $`C_{tot}`$ over the whole $`T`$-range. The estimated values of the parameters are: $`r_1=1.025`$ and $`r_2=1.050`$ (with $`T_L`$ = 2 K and $`T_H`$ = 300 K). Figure 3 shows the corresponding lattice contribution of Sr3CuPtO6 that was obtained by including $`\theta _D^{sam}(T)`$ in the Debye formula.


text:
# CCD photometric search for peculiar stars in open clusters. V. NGC 2099, NGC 3114, NGC 6204, NGC 6705 and NGC 6756Based on observations obtained at Complejo Astronómico el Leoncito (CASLEO), operated under the agreement between the Consejo Nacional de Investigaciones Científicas y Técnicas de la República Argentina and the National Universities of La Plata, Córdoba y San Juan; ESO-La Silla, UTSO-Las Campanas and L. Figl Observatory, Mt. Schöpfl (Austria)

## 1 Introduction

In continuation of our previous four papers dedicated to the search for chemically peculiar objects via CCD $`\mathrm{\Delta }a`$-photometry (Paunzen et al. 2002b), another five open clusters in our Milky Way have been investigated.

We present $`\mathrm{\Delta }a`$-photometry for NGC 2099, NGC 3114, NGC 6204, NGC 6705 and NGC 6756 resulting in the detection of six peculiar objects from which one turned out to be a late type foreground object.

The data of NGC 3114 allowed us to compare photoelectric measurements to those of the CCD system showing excellent agreement.

We discuss the individual clusters and their peculiar objects including Johnson $`UBV`$ and Strömgren $`uvby`$ photometry.

## 2 Observations, reduction and results

Observations of the five open clusters were performed with the Bochum 61 cm (ESO-La Silla), the Helen-Sawyer-Hogg 61 cm telescope (UTSO-Las Campanas Observatory), the 2.15 m telescope at the Complejo Astronómico el Leoncito (CASLEO) and the L. Figl Observatory (FOA) with the 150 cm telescope on Mt. Schöpfl (Austria) using the multimode instrument OEFOSC. The characteristic of the instruments and field-of-views can be found in Bayer et al. (2000) and Paunzen et al. (2002b). The observing log is listed in Table 1.

The basic CCD reductions and a point-spread-function-fitting were carried out within standard IRAF routines. The way of calculating the normality line, deriving the errors and calibration of our $`y`$ measurements, is the same as in previous works (Paunzen et al. 2002b).

Table 2 lists our observed open clusters and their characteristics from the literature (as listed in the corresponding sections). Furthermore, the number of observed stars, the number of individual frames (Table 1), the regression coefficients for all transformations and normality lines as well as the 3$`\sigma `$ detection limits are given.

The finding charts (only available in the electronic form) of our open clusters are shown in Fig. 1. We have grouped the charts according to the telescopes used and the very different field of views.

Tables 5 to 9 with all data for the individual cluster stars are available in electronic form at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.125.5), http://cdsweb.u-strasbg.fr/Abstract.html or upon request from the first author. These Tables include the cross identification of objects from the literature, the observed $`(g_1y)`$ and $`a`$ values with their corresponding errors, $`V`$ magnitudes, the $`(BV)`$ or $`(by)`$ values from the literature, $`\mathrm{\Delta }a`$-values derived from the normality lines of $`(g_1y)`$, $`(BV)`$ or $`(by)`$, and the number of observations, respectively.

The diagnostic diagrams for all five open clusters are shown in Fig. 2. Furthermore, the normality lines and the confidence intervals corresponding to 99.9 % are plotted.

All photometric data and limits are given in magnitudes.

### 2.1 NGC 2099

A comprehensive study of this open cluster is given by Nilakshi & Sagar (2002). They included all relevant sources and data from the literature.

We have observed only the brightest members ($`V>13`$) of the core region and find no photometric CP candidate. Although we have only six frames in total, the $`\mathrm{\Delta }a`$-detection limit is very low (0.009) caused by the brightness of the observed objects.

The Johnson $`UBV`$ measurements of the literature as listed in Table 1 of Nilakshi & Sagar (2002) were averaged in order to derive mean photometric mean values within this system. The main sequence and the region of the red giants are clearly visible in Fig. 2.

### 2.2 NGC 3114

This cluster was already observed photoelectrically in the $`\mathrm{\Delta }a`$-system by Maitzen et al. (1988). They observed 127 stars of this cluster with $`V>12`$ and found six CP2 stars. We have used NGC 3114 to further test our new CCD photometric system and to expand the $`V`$-range of observed members (it is also the less distant open clusters investigated so far in the CCD $`\mathrm{\Delta }a`$-system with 920 pc). Unfortunately, all six bona-fide CP stars are either outside our observed field of view or too bright for CCD measurements. Nevertheless, we have seven stars in common with the work of Maitzen et al. (1988) for which we can immediately check the observed $`\mathrm{\Delta }a`$-values. Admitting that this is only a check for a null result in $`\mathrm{\Delta }a`$ we notice a very good coincidence of both sources/techniques.

The CCD Johnson $`UBV`$ for this cluster were taken from Sagar & Sharples (1991) and Carraro & Patat (2001).

Figure 2 shows the $`V`$ versus $`(g_1y)`$ diagram for NGC 3114. The main sequence goes down to about 18th magnitude with many non-members especially cooler than $`(g_1y)>0.5`$. We find no further photometric CP stars for this cluster within a detection limit of 0.008. This is probably caused by the temperature range of the observed members. We find that $`(g_1y)=0.69`$ corresponds to $`(BV)_0=0.44`$ or a spectral type of about F5. Earlier than that, only 43 objects have been observed (all other stars are cooler). Since the incidence of CP stars significantly drops towards spectral types of A5, the incidence of late type peculiar stars is rather improbable (note that already six have been discovered before).

### 2.3 NGC 6204

NGC 6204 was often analyzed with its companion Hogg 22 which lies only 6$`\mathrm{}`$ away (both are not associated with each other). The first investigation by Whiteoak (1963) was substantiated by Moffat & Vogt (1973). The latter give an earliest spectral type of B8 and a distance of 810 pc. Kjeldsen & Frandsen (1991) presented CCD Johnson $`UBV`$ photometry deriving a distance of 1200 pc and an age of 200 Myr. Later, Forbes & Short (1996) confirmed these results using appropriate isochrones.

Our observations cover the whole area of NGC 6204 as described in Kjeldsen & Frandsen (1991) and Forbes & Short (1996) spanning a magnitude range of about nine magnitudes. Although 55 frames were observed in total resulting in a very low detection limit of 0.007, no photometric CP candidate was discovered.

### 2.4 NGC 6705

The apparent radius of NGC 6705 (M11) is 16$`\mathrm{}`$ which is significantly more than the field of view of the telescope (3$`\mathrm{}`$ x 4$`\mathrm{}`$) used for this investigation. We have therefore observed only the innermost region. Kjeldsen & Frandsen (1991), Brocato et al. (1993) and Sung et al. (1999) presented extensive studies based on CCD Johnson $`UBVI`$ photometry. Sung et al. (1999) found mass segregation based on 166.491 stars brighter than 21th magnitude (see their Figure 3). The slope of the mass function increases systematically with increasing radius from the center.

We have checked the consistency of all published CCD photometric sources. The photographic values listed by Johnson et al. (1956) and Mathieu (1984) were not considered since such measurements are in generally not as accurate as CCD ones. We find a general trend of the data listed by Brocato et al. (1993) with respect to those of Kjeldsen & Frandsen (1991) and Sung et al. (1999). The offset is about 0.70 for Johnson $`V`$, furthermore a slope of 0.74 for Johnson $`(BV)`$ was found. The data of Brocato et al. (1993) were also checked against the photographic ones by Johnson et al. (1956) and Mathieu (1984) yielding essentially the same results. The correlations of all other data sources result in offsets close to zero with a slope of one (within the error bars). For our further analysis we have used photometric mean values from Kjeldsen & Frandsen (1991) and Sung et al. (1999).

From Fig. 2 we find three photometric CP candidates for NGC 6705. Two of them (No. 51 and 56; 7730 as well as 8157 according to Sung et al. 1999) have significant positive $`\mathrm{\Delta }a`$-values whereas one (56; 7777) exhibit a negative one. Unfortunately, none of these objects is included in the membership determination by McNamara et al. (1977). All three stars have $`(BV)_0`$ of $``$0.05 and $`(UB)_0`$ values from $``$0.07 to $``$0.17 resulting in a $`Q`$ value from $``$0.04 to $``$0.14 (Golay 1974) qualifying them as bona fide cluster members (Fig. 2). These values are typically for spectral types of B8 to A0 assuming a reddening of $`E(BV)=0.43`$.

According to the results of Cowley et al. (1970) the photometric indices are in very good agreement for late B type Si or Cr stars. If we assume $`(V_0M_V)=11.55`$ (Sung et al. 1999) then absolute magnitudes of +0.3 and +0.5 for No. 51 and 215 can be derived. Again, these absolute magnitudes are typical for CP stars in this temperature range (Grenier et al. 1981, Gómez et al. 1998).

Object No. 56 exhibits a significant negative $`\mathrm{\Delta }a`$-value of $``$0.059 which is typical for a Be or a very extreme $`\lambda `$ Bootis star. An absolute magnitude of +1.6 would be still in the range of classical field $`\lambda `$ Bootis stars (Paunzen et al. 2002a). However, spectroscopic observations have to clarify the true nature of this object.

We also note that Johnson et al. (1956) classified one star (No. 7483; Sung et al. 1999) as B3p (Blue Straggler?). Our photometry results in a $`\mathrm{\Delta }a`$-value of +0.003 which seems to rule out a peculiar nature. But we have to emphasize that magnetic CP stars often show a variation of the $`\mathrm{\Delta }a`$-value over their magnetic cycle. On the other hand, the error of the $`a`$-value itself (averaged over five different nights) is only 0.003 which might be another argument against chemically peculiarity.

### 2.5 NGC 6756

The only recent paper including NGC 6756 is that of Delgado et al. (1997). They presented CCD Strömgren $`uvby`$ photometry of 368 stars in the area of this open cluster. It is the most distant program cluster (3300 pc) which allowed us the cover the complete cluster area.

In total, three objects are photometrically peculiar: No. 17, 46 (33 and 24 according to Delgado et al. 1997, respectively; both with positive $`\mathrm{\Delta }a`$-values) and No. 52 (66; negative one).

For the following calculations we have used $`E(by)=0.73`$ and $`(V_0M_V)=12.60`$ as listed in Delgado et al. (1997).

The Strömgren $`uvby`$ indices for No. 46 further strengthen its chemically peculiar nature. We find $`(by)_0`$ = $``$0.060, \[$`m_1`$\] = 0.105, \[$`c_1`$\] = 0.671 and $`M_V`$ = $``$0.42 which are typical for a B8 Si star (Cameron 1966).

The values for the apparent peculiar object No. 17 are typical for an unreddened late type star (Crawford & Mander 1966) and rule out chemical peculiarity: $`(by)`$ = 0.661, \[$`m_1`$\] = 0.502 and \[$`c_1`$\] = 0.340. This case shows the importance of additional photometric observations in a broad or intermediate band system.

Unfortunately, Delgado et al. (1997) have only measured $`(by)`$ for No. 52 making a final comment on its nature difficult. If it is a cluster member, then $`(by)_0`$ = $``$0.024 and $`M_V`$ = +0.41 which is in the range of the $`\lambda `$ Bootis group. Again, further photometric or spectroscopic data are needed to shed more light on its nature.

## 3 Conclusions

We have presented high precision narrow band $`\mathrm{\Delta }a`$-photometry for 1008 objects from 193 individual frames for five intermediate aged open clusters of the Milky Way. With a very low detection limit of less equal than 0.009, we find six peculiar objects in NGC 6705 and NGC 6756. One object in NGC 6756 turned out to be a late type foreground object. NGC 3114 served as further test case to compare the new CCD with the old photoelectric $`\mathrm{\Delta }a`$-system. It has been shown that our narrow band CCD $`\mathrm{\Delta }a`$-photometric system together with additional measurements of the Johnson $`UBV`$ ot Strömgren $`uvby`$ systems is highly efficient to detect peculiar objects on the upper main sequence.

###### Acknowledgements.

The CCD and data acquisition system at CASLEO has been partly financed by R.M. Rich through U.S. NSF Grant AST-90-15827. This work benefitted from the financial contributions of the City of Vienna (Hochschuljubiläumsstiftung projects: Wiener Zweikanalphotometer and H-112/95 Image Processing). EP acknowledges partial support by the Fonds zur Förderung der wissenschaftlichen Forschung, project P14984. Use was made of the SIMBAD database, operated at CDS, Strasbourg, France and the WEBDA database, operated at the Institute of Astronomy of the University of Lausanne. This research has made use of NASA’s Astrophysics Data System.