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# Comment to: “Noncovalent functionalization of carbon nanotubes by aromatic organic molecules” [ Appl. Phys. Lett. 82, 3746 (2003) ]

Zhao et al. ddq  have calculated the interactions of various aromatic molecules with carbon nanotubes, using density-functional theory (DFT). They find evidence of noncovalent functionalization of carbon nanotubes, consisting in a weak chemisorption with a small but sizable charge transfer from the nanotube to the molecule, or vice versa. The charge transfer and associated change of the density of states at the Fermi level would explain the observed sensitivity of transport properties in carbon nanotubes to doping with aromatic molecules. The same mechanism was previously invoked to explain the effects of adsorption of several simple gases (see Refs.\[1-12\] cited in Ref.\[ddq, \], in particular Refs.).

The goal of this comment is to show that such mechanism is based on a shaky ground, and that Ref.\[ddq, \] seems to ignore or to misinterpret recent work not supporting the weak-chemisorption/charge-transfer picture.

Let us first focus on the case of O2 adsorbed on the external wall of a nanotube. Early work (Refs. of Ref.\[ddq, \]) used the Local-Density Approximation (LDA) – whose drawbacks, in particular the tendency to over-bind, are well known – and ignored spin polarization. When spin polarization is properly taken into account, however, very little charge transfer ($`<0.02e`$) is foundnoi ; batraci , even when using LDA. Calculationsnoi  based on the PBE flavor of the Generalized Gradient Approximation (GGA) yield very weak binding ($`0.004`$ eV) at large C-O distances ($`3.7`$ Å). With minor differences, the same pattern holds for other flavors of GGA (Ref. of Ref.\[ddq, \]), unless van der Waals (dispersion) forces are explicitely addedbatraci . Ref.\[ddq, \] finds instead a sizable charge transfer of $`0.09e`$ at a much smaller C-O equilibrium distance of 2.8Å with a binding energy of 0.1 eV, using GGA (no mention is done of the treatment of spin polarization).

There is no direct experimental evidence, to the best of my knowledge, that the effects of O2 adsorption on transport properties in carbon nanotubes are due to binding of O2 to the wall of a perfect nanotube. Recent work points to a different mechanism (doping at the contacts) to explain the observed phenomenologyavouris . More recent work shows that O2 adsorption has no effect at all if impurities are carefully removed from nanotube samplesgoldoni .

The results in Table I of Ref.\[ddq, \] for both benzene and cyclohexane adsorbed on nanotubes are perfectly consistent with physisorption, as described by GGAvdW : large equilibrium molecule-nanotube distance, very small binding energy, no sizable charge transfer. In spite of such evidence, Fig.4 of Ref.\[ddq, \] is used to demonstrate hybridization of benzene $`\pi `$ states with the nanotube, as opposed to lack of hybridization in cyclohexane. Actually what is shown is that the top valence band includes states having $`\pi `$ character that are localized either on the nanotube or on benzene, but this does not imply that there is overlap or hybridization between the two sets of states: simply, their energies are in the same range.

Fig.3 of Ref.\[ddq, \] shows that for 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) adsorbed on nanotubes, the Lowest Unoccupied Molecular Orbital (LUMO) state from DDQ at zone-boundary $`X`$ point lies just below the top of the valence band of the nanotube. We remark however that even when the DDQ molecule is placed at a large distance from the nanotube (5.3 Å, a distance at which nanotube-molecule interactions are very small), the gap between the LUMO of DDQ and the top of the valence band of the nanotube is $`0.1`$ eV (see Fig. 1). The lineup between the top of the valence band of the nanotube and the LUMO of DDQ is thus mostly determined by the two systems separately and only marginally modified by their interactions. Whether such lineup can be reliably calculated with current approximations to DFT is not obvious. If we assume that the occupied states of the two systems are correctly lined up, the well-known underestimate of the gap between the Highest Occupied Molecular orbital (HOMO) and the LUMO will lead to an incorrect lineup of unoccupied with occupied states. For DDQ, the calculated HOMO-LUMO gap with GGA is 1.63 eV.

In conclusion, the results of DFT calculations in weakly bound systems like molecules adsorbed on nanotubes should be handled more carefully.

Partial support from MIUR grant PRIN 2001-028432 is acknowledged.


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# Microscopic Derivation of Magnetic Coupling in Ca3Co2O6

## Abstract

For cobalt atoms placed along chain structures in Ca3Co2O6, we investigate the spin exchange coupling between atoms in high spin states. Consistent with experimental findings, the coupling is weakly ferromagnetic.

Quasi one-dimensional structures have long been acknowledged to exhibit intriguing transport and magnetic properties. New members in this family are Ca3Co2O6  and a series of related iso-structural compounds, which crystallize in the $`R\overline{3}c`$ structure . In this structure, two inequivalent cobalt atoms exist, one in an octahedral environment (labeled Co1), and the other one in a trigonal-prismatic environment (labeled Co2). Both atoms are in a 3+ configuration, but in different spin states. Cobalt atoms form covalent bonds along chains while the interchain coupling is far weaker. One therefore expects that this rather unique situation is going to give rise to a peculiar magnetic response.

Along the chains the cobalt spins tend to order ferromagnetically whereas the interchain coupling is antiferromagnetic. However, the antiferromagnetic order is affected by the frustration inherent in the crystal structure. At low temperature, this system appears to be in a partially disordered antiferromagnetic state. On top, the magnetization versus field curves display several plateaus .

An appealing starting point to the understanding of the magnetic structure of a particular compound is provided by the Kanamori-Goodenough-Anderson rules . Given the electronic configuration of the ions one can estimate their magnetic couplings and, at mean-field level, the magnetic ground state. In Ca3Co2O6, the problem is more involved, in particular since each second Co3+ is non-magnetic, as indicated by neutron scattering data . One therefore needs to determine the next-nearest neighbor magnetic coupling. This is the purpose of the paper.

To that aim one needs i) to determine the electronic configuration of the ions, and ii) the matrix elements of the hopping operator. Both are described by a set of parameters obtained from density functional theory calculations using the augmented spherical wave method (ASW) . In particular, it turns out that both Co ions are in a $`3d^6`$ configuration. The parameters entering the local part of the standard multi-band Hubbard Hamiltonian, upon integrating out the oxygen degrees of freedom, are the Hubbard $`U`$, the Hund’s rule coupling $`J_H`$, and the crystal field splitting 10 $`Dq`$. For Co2, the splitting of the “three-fold degenerate” lowest level turns out to be small , and is neglected. In contrast to 10 $`Dq`$ both $`U`$ and $`J_H`$ are weakly affected by the difference between the prismatic and octahedral environments. The six electrons can be in three spin configurations: a low spin one (LS) ($`S=0`$) with energy $`E_{LS}=(30U\sqrt{(3J_H+20Dq)^2+24J_H^2}57J_H28Dq)/2`$, an intermediate spin one (IS) ($`S=1`$) with energy $`E_{IS}=(30U\sqrt{(J_H+20Dq)^2+8J_H^2}65J_H8Dq)/2`$, or a high spin one (HS) ($`S=2`$) with energy $`E_{HS}=15U38J_H4Dq`$. As a result the LS configuration is stable for $`J_H<2.68Dq`$, and the HS one otherwise. Stabilizing the IS configuration requires different physical input, such as an additional splitting of the $`e_g`$ level or a lowering of the symmetry .

We are now in the position to estimate the intra-chain magnetic couplings. For Co1 we choose the coordinate axes to point towards the oxygens, while for Co2 we choose the $`z`$-axis to point along the c-direction of the $`R\overline{3}c`$ group. Therefore when determining the matrix elements of the hopping term one needs to carefully distinguish the relevant contributions. It turns out that the $`3z^2r^2`$ orbital on Co2 identically couples to the $`x^{}y^{}`$, $`x^{}z^{}`$, and $`y^{}z^{}`$ orbitals on Co1, with amplitude $`t`$, while other matrix elements are negligible. At this stage one can determine the magnetic ground state performing a hopping expansion. It is obvious that the magnetic structure does not enter the result to order $`t^2`$. To order $`t^4`$ the exchange paths between two Co2 sites are sensitive to the magnetic structure and the respective Hund’s rule coupling on Co1. A typical exchange path is sketched in Fig. 1 for a ferromagnetic configuration. Any $`t_{2g}`$ down spin on Co1 can hop onto the $`3z^2r^2`$ orbital on one neighboring Co2, and any remaining $`t_{2g}`$ down spin on Co1 can hop onto the $`3z^2r^2`$ orbital onto the second neighboring Co2, (this leaves Co1 on a spin state where $`J_H`$ is important), and then both electrons return to Co1. There are 48 such contributions. For an antiferromagnetic configuration, we find that: i) there are only 42 such paths, and ii) it leaves Co1 on an intermediate low spin state, which has a higher energy. As a result the ferromagnetic configuration has a lower energy. Using the numerical values resulting from the ASW calculation  and $`U=5.5`$ eV, we finally obtain

$$E_FE_{AF}10^3t^4/eV^3.$$
(1)
Using $`t0.8`$ eV, the energy gain is around 40 K, in good agreement with the onset temperature of the ferromagnetic ordering along the chains.

In summary, we have identified a mechanism leading to a ferromagnetic coupling between magnetic ions through a non-magnetic one. The driving forces are i) the Hund’s rule coupling on the non-magnetic ion, and ii) the large number of contributions to the magnetic energy due to the $`R\overline{3}c`$ structure. The magnetic coupling is found to be in good agreement with experiment.

We are indebted to A. Maignan for numerous enlightening discussions. C. Laschinger is supported by a Marie Curie fellowship of the European Community program under number HPMT2000-141. The project is supported by BMBF (13N6918/1) and by DFG through SFB 484.


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# THE DARK MATTER DISTRIBUTION IN THE CENTRAL REGIONS OF GALAXY CLUSTERS

## 1 Introduction

The Cold Dark Matter (CDM) paradigm for structure formation is extremely successful in explaining observations of the universe on large scales (e.g. Percival et al. 2001; Spergel et al. 2003; Croft et al. 2002; Bahcall et al. 2003). A vital tool within the CDM model is that of N-body simulations which are able to infer the properties of DM halos down to $``$kpc scales and which have predicted a “universal” shape for DM density profiles (at mass scales ranging from dwarf galaxies to clusters of galaxies) that goes like $`\rho _{DM}r^\beta `$ at small radii (e.g. Navarro, Frenk & White 1997; Moore et al. 1998; Power et al. 2003; Fukushige et al. 2003). Nearly all numerical work points to a value of $`\beta `$ between 1 and 1.5.

Observational verification of the DM density profile at various mass scales is very important in confirming the CDM model. At the galaxy cluster scale, we have developed a technique to measure the DM density profile by combining constraints from gravitational lensing and the stellar velocity dispersion profile of a centrally located BCG. This allows us to disentangle luminous and dark components of the mass distribution in the inner regions of galaxy clusters.

## 2 Sample Selection & Data Analysis

We have undertaken a search of the Hubble Space Telescope (HST) Wide Field and Planetary Camera 2 (WFPC2) archive to look specifically for radial gravitational arcs in galaxy clusters. From this catalog of clusters, we picked several candidates to follow up spectroscopically, all of which met the following criteria: 1) the cluster had a dominant, relatively isolated central galaxy; 2) there was at least one nearby large tangential gravitational arc, although clusters with radial arcs were preferred; 3) and there were no indications of substantial substructure or a significantly elongated cluster potential. We collected Keck spectroscopic data for 6 galaxy clusters, three with radial and tangential arcs and three with only tangential arcs. For each system an extended stellar velocity dispersion profile of the BCG was measured and, if necessary, gravitational arc redshifts were found as well. Figure 1 shows an image of each cluster.

We have presented the analysis involved in this work in Sand et al. (2002, 2003); and only briefly describe the methodology here. We adopted a simple, spherically symmetric two-component mass model comprising the BCG and cluster DM halo. For the BCG component we used a Jaffe (1983) mass density profile (which, in projection, describes well the surface brightness profile of the BCGs) and for the cluster DM halo we used a generalized-NFW profile which allows the inner slope, $`\beta `$, to be a free parameter. Given this mass model we have effectively three free parameters: the stellar M/L of the BCG, the amplitude of the DM density profile, $`\delta _c`$, and the crucial inner DM density logarithmic slope, $`\beta `$. For a given set of free parameters, {M/L,$`\delta _c`$,$`\beta `$}, the expected position of the gravitational arcs and stellar velocity dispersion of the BCG can be calculated. By comparing the expectations from a given mass model with the observed arc positions and BCG velocity dispersion (along with their uncertainties) a likelihood can be calculated. In this way, it is easy to marginalize with respect to various parameters to find confidence limits on individual variables, in particular $`\beta `$. Figure 2 gives the probability distribution function of the DM inner density slope, $`\beta `$, for each of the clusters in our sample. The left hand panel shows the radial arc cluster constraints, along with the joint distribution across all three systems ($`\beta =0.52_{0.05}^{+0.05}`$; 68% CL). Note not only that the mean DM density profile is shallower than NFW, but that there is significant scatter in $`\beta `$ values across the sample, $`\mathrm{\Delta }\beta `$0.3. The right hand panel shows the results for the tangential arc sample ($`\beta <`$0.57; 99% CL), which allows us to place not only an upper limit on the value of $`\beta `$, but serves as a useful control sample for the radial arcs systems. Note that the radial arc sample is not biased towards lower values of $`\beta `$ as would be expected if they were a biased subset (see Sand et al. 2003).

## 3 Discussion & Conclusions

Figure 3 illustrates why we are able to place such strong constraints on the shape of the DM profile. In the left panel is plotted the velocity dispersion profile measured for MS2137-23, along with the best-fitting velocity dispersion (solid line; $`\beta `$=0.57) that agrees with both the lensing and dynamics in the system. Plotted as a dashed line is a velocity dispersion profile whose underlying mass distribution ($`\beta `$=1.30) agrees very well with the lensing data, but does not fit the measured velocity dispersion. This case illustrates why mass models with too steep an inner profile cannot match both the velocity dispersion profile and the positions of the gravitational arcs. In the right panel of Figure 3 is plotted the best-fitting density profile of MS2137-23. The velocity dispersion measurement of the BCG allows us to probe the mass distribution where luminous matter is important, while the arcs probe the portion of the mass distribution where dark matter dominates. The two measurements complement each other.

The observed value of $`\beta `$ is expected to lie between 1 and 1.5 on the basis of CDM only simulations, including those with the latest refinements and consideration for numerical convergence (i.e. Power et al. 2003; Fukushige et al. 2003). We have found a range of acceptable values of $`\beta `$ (see Figure 2), and although individual systems can be consistent with NFW (e.g. RXJ 1133), the average slope is inconsistent with the cuspy profiles expected from CDM simulations. Is it possible to account for the discrepancy between these observations and numerical predictions? Conventional CDM simulations only include collisionless DM particles. It is not clear how the inclusion of baryonic matter would affect the DM distribution, especially in regions where it dominates the total matter density. One possible situation, adiabatic contraction (e.g. Blumenthal et al. 1986), would steepen the DM distribution through gravitational processes and exacerbate the current problem. Baryons could also play an important dynamical role by driving energy and angular momentum out of the cluster core, thus softening an originally cuspy profile (e.g. El-Zant et al. 2001,2003). It is also possible that the DM particle is self-interacting. This would naturally cause the DM density profile to be shallower than that predicted from standard CDM (Spergel & Steinhardt 2000).

We are in the process of collecting a larger sample of galaxy clusters with radial arcs in order to further constrain our determination of the mean value of $`\beta `$ and its intrinsic scatter. A clear measurement of both of these parameters will aid in future comparisons to simulations, especially those that include both baryons and DM.

## Acknowledgments

We are grateful to the MACS collaboration for access to MACS 1206. We acknowledge financial support for proposal number HST-AR-09527 provided by NASA through a grant from STScI, which is operated by AURA, under NASA contract NAS5-26555.

## References


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# Structured, Dynamo Driven Stellar and Disc Winds

## 1. Motivation

The Shape Problem. All current models involving magnetic fields assume that a radiation driven fast post-AGB (asymptotic giant branch) wind carries a (frozen-in!) stellar toroidal magnetic field, travelling into a non-magnetized radiation driven slow AGB wind. However, it is not clear whether this kind of magnetic shaping can be applied to nonaxisymmetric multipolar structures that have been observed by the Hubble Space Telescope. The multipolar structures suggest that two winds are interplaying, emanating at the same time from the star and a surrounding (accretion) disc, a scenario which has not been considered in previous models.

The Power Problem. All current models assume that the winds are purely radiation driven. There is observational evidence that the PN-shaping process begins already in the PPN phase, because many PPNs have highly collimated fast bipolar outflows. However, at this early stage of evolution, a post-AGB star is too cool to produce a high speed (radiation driven!) fast wind with the observed large kinetic luminosity. Therefore, the origin of fast PPN winds cannot be radiation, as assumed in previous models.

The Proposed Model. Blackman et al. (2001b,2001a) propose that large scale dynamos in the post-AGB star as well as a surrounding PPN accretion disc might drive MHD stellar and disc winds, so that PPNs/PNs are formed by dynamo driven stellar and disc winds rather than radiation driven stellar winds.

Our Work. We aim, in the future, to verify the proposed semi-quantitative physical model with global numerical MHD simulations. As a first step, we present here results of axisymmetric numerical simulations of three MHD models of a system comprised of a central object, a surrounding accretion disc and a corona. All three models have mean-field dynamo action in the disc and do not impose any external magnetic field in the disc, which is a new approach in the context of outflows and accretion studies. Model A assumes an initially non-magnetized star, whereas Models B and C include a strong stellar dipolar magnetosphere and a stellar mean-field dynamo, respectively. Our models are currently applied to protostellar star–disc systems. However, since we use dimensionless variables, the models can be rescaled and applied to a range of different astrophysical objects.

## 2. Models and Results

We solve the continuity equation, the Navier–Stokes equation and the induction equation. Instead of solving the energy equation, we model a cool dense disc embedded in a hot rarefied corona by fixing entropy contrasts such that specific entropy is smaller within the disc and the star, and larger in the corona. By solving the hydrostatic equilibrium for an initially non-rotating corona, the corona is pressure-supported, whereas the disc is mainly centrifugally supported and rotating slightly sub-Keplerian.

Model A: Accretion Disc Dynamo.

The results of Model A have been presented in more detail in von Rekowski et al. (2003). As one can see in Fig. 1 (Left), a clearly structured outflow develops with a slower, hotter and denser stellar wind, an inner disc wind (in a conical shell originating from the inner disc edge) that is faster, cooler and less dense, and an outer disc wind with intermediate values. The stellar wind is pressure driven (very low angular momentum, see Fig. 1 (Right); ratio of the poloidal magneto-centrifugal to pressure forces is less than $`1`$ at the stellar surface), whereas the inner disc wind is magneto-centrifugally accelerated (very high angular momentum; magnetic field lines at the disc surface are inclined to the rotation axis by at least $`30^{}`$; outflow is highly supersonic but sub-Alfvénic: magnetic lever arm is about $`3`$; ratio of the poloidal magneto-centrifugal to pressure forces is larger than $`1`$ at the disc surface and exceeds $`100`$ further away), and the outer disc wind is mostly pressure driven (Alfvén surface is close to the disc surface; ratio of the poloidal magneto-centrifugal to pressure forces is mostly less than or around $`1`$ at the disc surface). The averaged accretion rate is about $`10^6M_{}/\mathrm{yr}`$ and the averaged disc $`+`$ stellar wind mass loss rate is about $`4\times 10^7M_{}/\mathrm{yr}`$.

Model B: Accretion Disc Dynamo & Stellar Magnetosphere.

The results of Model B have been presented in more detail in von Rekowski & Brandenburg (2003a). Again, the disc dynamo produces a structured disc wind so that the overall outflow is similar to Model A, with coexisting pressure driving and magneto-centrifugal acceleration. In transition periods when disconnected stellar and disc field lines are about to reconnect, there is a pressure driven hot and dense, but relatively fast outflow between the stellar and disc winds (see Fig. 2, Left). The magnetosphere is oscillating with a period of around 15 to 30 days, changing between two distinct states. When star and disc are magnetically connected by the magnetosphere, accretion of disc matter onto the star is along magnetospheric field lines with peak accretion rates of about $`(1\mathrm{}2.5)\times 10^8M_{}/\mathrm{yr}`$ (see Fig. 2, Middle). When star and disc are magnetically disconnected, there is no net accretion but matter is lost directly into the outflow (see Fig. 2, Right). In this state, angular momentum transport by the inner disc wind is clearly enhanced; also the stellar and inner disc wind velocities are enhanced. The disc wind mass loss rates are also time dependent but not correlated with the oscillating magnetosphere; they are about one order of magnitude higher than the peak accretion rates.

Model C: Accretion Disc Dynamo & Stellar Dynamo.

The results of Model C are going to be presented in more detail in von Rekowski & Brandenburg (2003b). The stellar dynamo generates a magnetic field with dipolar-type symmetry (the alpha effect is positive in the upper hemisphere). The main result is that the dynamo in the star produces a fast and collimated stellar wind (cf. Fig. 3). The structured disc wind is again due to the disc dynamo.

### Acknowledgments.

Use of the supercomputers SGI 3800 in Linköping and Linux cluster 1 in Umeå and of the PPARC supported supercomputers in St Andrews and Leicester is acknowledged.

## References

Blackman, E. G., Frank, A., Markiel, J. A., Thomas. J. H., & Van Horn, H. M. 2001a, Nature, 409, 485

Blackman, E. G., Frank, A., & Welch, C. 2001b, ApJ, 546, 288

von Rekowski, B., Brandenburg, A., Dobler, W., & Shukurov, A. 2003, A&A, 398, 825

von Rekowski, B. & Brandenburg, A. 2003a, submitted to A&A

von Rekowski, B. & Brandenburg, A. 2003b, in preparation


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# Universal features of charge and spin order in a half-doped layered perovskite.

## Abstract

We have investigated the peculiar structure of charge and spin ordering in the half-doped layered perovskite oxide La1.5Sr0.5CoO4 by elastic neutron scattering. Two samples with different preparation histories were studied. We find that the generic features of the ordered states, such as their short-range, glassy nature and the spin incommensurability, are sample-independent. At the same time, some subtle features of the ordered phases, such as the correlation lengths, differ.

Recently much attention has been paid to exploring the charge/orbital- and spin-ordered phases in the charge-doped strongly-correlated transition-metal oxides, such as the superconducting cuprates and the magnetoresistive manganites (see Refs. Orenstein2000, ; Tokura2000,  for a review). Competition of the spin, orbital and/or the charge/valence degrees of freedom results in non-trivial ground states, and leads to many fascinating physical properties, such as a magnetic-field-driven metal-insulator transition, etc. At small doping, the charges often segregate into lines, forming a stripe-like superstructure TranquadaWakimotoLee , which may be important for the high-temperature superconductivity in cuprates. At half-doping, $`x=0.5`$, there is a natural opportunity for a robust valence-ordered state with the checkerboard filling of the two-dimensional (2D) square MO2 lattice (M = Cu, Mn, Ni, Co, … is a 3d metal) by M2+/M3+ or M4+/M3+ ions. At high doping, close to $`x0.5`$, such a phase with the checkerboard charge order (CO) is often stabilized by the Jahn-Teller distortion, and is in competition with the metallic state where the charges are delocalized. Such a competition is at the heart of the strong response (CMR) of the doped pseudocubic manganites to a magnetic field, which favors the metallic phase by inducing ferromagnetism, Schiffer1995 .

The CO and the spin-ordered (SO) phases were recently characterized in a number of the half-doped materials, in particular, in the layered perovskites La0.5Sr1.5MnO4 Sternlieb1996 , La1.5Sr0.5CoO4 Zaliznyak2000 ; Zaliznyak2001 , and La1.5Sr0.5NiO4 Kajimoto2003 . All three materials have the tetragonal crystal structure of the “HTT” phase (space group $`I4/mmm`$, see Fig. 1(a) in Ref. Zaliznyak2001, ), and with lattice spacings that only differ by $`1\%`$. Although an “orthorhombic” indexing based on the space group $`F4/mmm`$, with a twice larger unit cell, $`\sqrt{2}a\times \sqrt{2}a\times c`$, is often employed to account for breaking of the translational symmetry in the $`ab`$ plane by the checkerboard CO superstructure, here we use the $`I4/mmm`$ notation corresponding to the true crystal lattice.

With decreasing temperature, all three compounds first undergo a transition to the checkerboard charge-ordered state. It is accompanied by a dramatic increase of the activation energy in the $`T`$-dependence of the electrical conductivity, which is a clear evidence of the charge localization. An important generic feature of the CO in the layered materials at half-doping is its finite correlation range. It results from the combination of the random electrostatic potential introduced by the quenched disorder of the dopant ions, and the quasi-two-dimensional nature of the elastic couplings between the distortions in different layers Zachar2003 . If the coupling between the distortions is isotropic, as it is in the pseudo-cubic manganites, the CO may become a truly long-range superstructure.

In all three materials the spin ordering (SO) follows the charge order, but at a significantly lower temperature. In the manganite, La0.5Sr1.5MnO4, the SO is commensurate, with the propagation vector $`Q=(1/4,1/4,1)`$ Sternlieb1996 , as for the simple two-sublattice antiferromagnetism on each of the two fields of the CO checkerboard. In La1.5Sr0.5CoO4, which is the subject of this study, the SO was found to be incommensurate, with the propagation vector $`Q=(\zeta ,\zeta ,1)`$ with $`\zeta 0.258`$ Zaliznyak2000 . The situation is even more complex and intriguing in the nickelate. There the SO is also incommensurate, but with $`\zeta 0.22`$, smaller than 1/4, and is preceded by the transformation of the CO from a checkerboard to a stripe-like phase with the propagation vector $`Q=(2\zeta ,2\zeta ,0)`$ Kajimoto2003 .

The correlation lengths of spin and charge order measured in the above materials are summarized in Table 1. Both SO and CO are much better correlated in the manganite, where the SO is commensurate. Although a recent X-ray study Wakabayashi2001  determined that $`\xi _{ab}^{(CO)}=200(30)`$Å and $`\xi _c^{(CO)}=30(2)`$Å in La0.5Sr1.5MnO4, these values are still about an order of magnitude larger than the CO correlation lengths for the other two compounds in Table 1. The situation with the SO correlation lengths is similar. Whether the spin incommensurability is in some way related with this difference in the correlation lengths, though, is not really clear. Furthermore, a question arises: is there any connection at all between the CO and SO correlation ranges for a given material?

The difference in the CO correlation lengths measured in different materials can readily be understood from the generic cross-over phase diagram based on the random field Ising model (RFIM) Zachar2003 . It simply indicates that the effective random field and/or the inter-plane coupling in the quasi-2D anisotropic RFIM, which is the effective low-energy theory describing the CO transition, differ. However, because the source of the random field is the crystallographic disorder, it may also vary from one sample to another of the same material, with the same nominal stoichiometry. How strong is this effect, and how does it compare to the variation of $`\xi ^{(CO)}`$, $`\xi ^{(SO)}`$ between the different materials?

To address these questions, we have studied two samples of the half-doped cobaltate, La1.5Sr0.5CoO4, of different size and with different preparation histories, using elastic neutron scattering. Sample #1 is a cylinder of $`m_10.5`$ g and $`5`$ mm long, prepared at Nagoya University as described in Ref. Moritomo1997, , and was previously studied in Refs. Zaliznyak2000, ; Zaliznyak2001, . A larger sample #2 is $`45`$ mm long, $`m_211`$ g cylinder, and was grown in air atmosphere in the floating zone furnace at Brookhaven National Laboratory. Both samples were a high quality single crystals with mosaic spread of less than $`0.25^{}`$. Within the accuracy of our measurement they both have the same low $`T`$ lattice constants, $`a=3.830(3)`$Å and $`c=12.51(2)`$Å.

Measurements of the wave-vector dependence of the elastic scattering associated with charge and spin ordering were performed on the BT2 spectrometer at NIST Center for Neutron Research. The incident and the scattered neutron energy, $`E_i=E_f=14.7`$ meV, was defined by PG(002) reflections, with two PG filters suppressing the higher-order contamination. Beam collimations were $`60^{}`$ and $`100^{}`$ before the monochromator and after the analyzer, respectively, and $`20^{}20^{}`$ around the sample. The sample was mounted in a displex refrigerator with its $`(hhl)`$ reciprocal lattice zone in the horizontal scattering plane, and kept at $`T=10(2)`$ K. To establish the similarity of the temperature dependence of the SO scattering in the two samples, some additional measurements were performed using the SPINS cold-neutron spectrometer.

The dependence of the CO scattering on the wave vector transfer along the $`c`$-axis for the two samples is shown in Fig. 1 (left panel, sample # 1; right panel, #2). The scans through the CO peaks at $`Q=(h+0.5,h+0.5,l)`$ in the $`ab`$-plane, differ essentially only in their intensity, and are not shown. The CO diffuse scattering was analyzed following the procedure described in the Ref. Zaliznyak2001, . The solid curves in Figure 1 show the corresponding resolution-corrected fits to the “lattice Lorentzian” scattering function which describes the diffuse scattering by a short-range superstructure (shaded areas show the calculated intensity in the absence of the background).

It is clear from Figure 1 that the long-period $`l`$-dependence of the diffuse intensity is similar in both samples. This indicates that in both cases it results from the same kind of local distortion of the CoO6 octahedra. In fact, the fit shows that the corresponding displacements of the oxygen and Sr/La ions are, within its accuracy, the same in both samples, $`\epsilon _{O(1)}^{x,y}=0.044(4)`$ Å, $`\epsilon _{O(2)}^z=0.080(8)`$Å, and $`\epsilon _{La/Sr}^z=0.010(2)`$Å (cf. Refs. Zaliznyak2000, ; Zaliznyak2001, ; here we have allowed for a small modulation of the La/Sr position which slightly improves the fit). What makes the scattering patterns from the two samples look quite distinct, is the difference in the CO correlation range between the $`ab`$ planes, $`\xi _c^{(CO)}`$.

The correlation lengths for the charge \[$`\xi _{ab}^{(CO)},\xi _c^{(CO)}`$\] and the spin order \[$`\xi _{ab}^{(SO)},\xi _c^{(SO)}`$\] refined from our measurements are summarized in Table 2. The inter-plane CO correlation length in the sample #1 is somewhat larger than the distance between the neighboring $`ab`$ planes, $`c/2`$, and the CO peaks at integer $`l`$ are well separated. On the other hand, in the case of sample # 2 there are no such well-defined peaks. This means that the inter-plane correlations are not developed at all, i.e. the correlation length is much smaller than the distance between the neighboring $`ab`$ planes. In our refinement we fixed $`\xi _c^{(CO)}=2.5`$Å. At the same time, the CO correlation range within the $`ab`$ layers is essentially the same for both samples. This agrees with the expectation from the anisotropic RFIM Zachar2003 . In the strongly anisotropic regime, $`\xi _c^{(CO)}/\xi _{ab}^{(CO)}1`$, the in-plane correlation lenghth, $`\xi _{ab}^{(CO)}`$, is essentially determined by the 2D RFIM physics, and is not sensitive to the developing inter-plane correlations.

Typical scans characterizing the dependence of the magnetic scattering associated with the spin order on the wave-vector transfer in the $`ab`$ plane are shown in the Figure 2. The solid lines are the appropriate resolution-corrected “lattice Lorentzian” fits, as in Ref. Zaliznyak2000, . The spin structure is described as a damped flat spiral polarized in the $`ab`$ plane, with the propagation vector $`Q=(\zeta ,\zeta ,1)`$. The $`l`$-scans (not shown) have much broader peaks centered at odd $`l`$ (the inter-plane SO correlation length, $`\xi _c^{(SO)}`$, is also much shorter than that in the plane, $`\xi _{ab}^{(SO)}`$). They are also well described by the model.

Although the charge order is somewhat better correlated in sample # 1, the refinement shows that the spin order correlation lengths are appreciably, by more than a factor of 1.5, larger in sample #2. This supports the conclusion that, although the CO correlation range in the $`ab`$ plane is quite short, the resulting disorder is still far from the 2D percolation threshold for the spin system. Therefore, it is not the source of the SO finite correlation length which, most probably, originates from the frustrated spin interactions Zaliznyak2000 . This conclusion is further corroborated by the observation that the SO incommensurability $`\zeta `$ appears smaller in the sample # 2, where the spin correlations are appreciably stronger (although the difference is small, it is well beyond the most conservative error bars which are shown in Table 2).

To summarize, we find that the generic, qualitative features of the charge and spin ordering in the half-doped layered perovskite La1.5Sr0.5CoO4, such as their short-range, glassy nature and the spin incommensurability are common for the two samples that we have studied. In fact, they are also shared by the other layered half-doped materials (Table 1). However, we also find some appreciable differences between our two samples with different preparation histories. The most dramatic is the difference in the correlation lengths. While the in-plane CO correlations are essentially the same, the CO correlation between the layers is significantly weaker in the sample # 2. This can be understood on the basis of the anisotropic RFIM Zachar2003  that describes the charge ordering in the half-doped materials. It implies that the weak residual inter-layer CO coupling is sensitive to the impurities and the imperfections in the crystal and is sample dependent.

For the spin order, the correlation lengths are as different between the two samples, as those between the sample #1 and the nickelate, La1.5Sr0.5NiO4. In fact, the correlation lengths of the checkerboard charge order and of the SO in the nickelate are essentially the same as in our sample # 2 of La1.5Sr0.5CoO4. The spin incommensurability, though, is completely different, and the charge-stripe phase is not present in either of the cobaltate samples. Finally, the smaller incommensurability $`\zeta `$ in the sample #2 with stronger spin correlations seems to indicate that these are related, and, perhaps, $`\zeta `$ vanishes if the SO is truly long range. This may explain, why the spin structure is apparently commensurate in the manganite, La0.5Sr1.5MnO4, where the SO correlation length is at least twice larger than in our sample #2.

We thank O. Zachar for valuable discussions, and acknowledge the support under the Contract DE-AC02-98CH10886, Division of Materials Sciences, US Department of Energy. The work on SPINS was supported by NSF through DMR-9986442.


text:
# Vortex nucleation through edge states in finite Bose-Einstein condensates

## I Introduction

A prominent feature of a superfluid is the way it behaves under rotation Leggett . In contrast to a normal fluid, that rotates like a rigid body at thermal equilibrium, the thermodynamically stable state of a superfluid at low enough frequency does not rotate. At higher frequencies, a finite amount of angular momentum appears in the form of vortex filaments at which the superfluid density vanishes. The circulation of the velocity field flow evaluated on a closed contour that encircles the vortex is quantized Feyn ; pines . This is a consequence of the existence of a macroscopic wavefunction, whose phase changes by an integer multiple of $`2\pi `$ around the vortex filaments. Atomic Bose-Einstein condensates (BEC) book ; book1  provide a reference system where the superfluid behaviour can be studied in the weak-coupling regime.

A set of recent experiments has demonstrated jila1 ; jila2 ; dali1 ; dali2 ; dali3 ; mit ; mit1 ; dali4 ; OXFORD  the existence of vortices in atomic condensates. The rotational frequency at which the first vortex is nucleated has been shown to depend on parameters such as the trap geometry (aspect ratio), the nature and the characteristic time of the stirring beam, the number of atoms in the trap and may therefore vary from one experiment to another. The ratio of this characteristic rotational frequency to the transverse harmonic trapping frequency varies in these experiments from $`0.1`$ mit1  to $`0.7`$dali2 .

Most of theoretical studies of vortex nucleation in atomic BEC which preceded these experiments strin1 ; lundh ; sinha1 ; castin ; feder ; butt , determine the characteristic nucleation frequency of the first vortex from the criterion that the vortex-state becomes the minimum of the thermodynamic free energy of the system evaluated in the co-rotating frame. In IM99  the global as well as local stability of the vortex state is discussed within the framework of the Bogoliubov theory pines . Using the Thomas-Fermi approximation, the thermodynamic characteristic frequency can be expressed lundh ; sinha1  in terms of the other system parameters. These works have been reviewed in Fett . The characteristic rotational frequency of the vortex nucleation thus obtained is generally lower than the values observed experimentally dali1 ; mit1 ; jila2 .

The presence of a vortex in a static condensate is associated with an extra energy relative to the vortex free state. Using the Thomas-Fermi approximation it can be shown that this energy is the highest when the vortex is located at the center of the trap and decreases monotonically as a function of the distance between the center of the vortex and the center of the trap Fett ; KPSZ01 ; GG01 . Within Thomas-Fermi approximation (without any boundary correction) it can be shown that this energy vanishes at the boundary of the system. Thus we can define the energy of a vortex-state $`E_v`$ as a function of the distance $`d`$, namely the separation between the vortex and the center of the trap and $`E_v(d)`$ has a maximum at $`d=0`$. For an increasing rotational frequency this maximum is shifted from the center to the boundary of the system Fett ; KPSZ01  and at rotational frequencies higher than the thermodynamic characteristic frequency this leads to a surface energy barrier to the nucleation of a vortex. This explains why a vortex cannot be nucleated in a trapped condensate even though the trap is rotated at the thermodynamic characteristic frequency. The characteristic frequency for the vortex nucleation can be determined if one knows under what condition and at what rotational frequency a state carrying finite angular momentum will be transferred from the surface to the bulk of the condensate by overcoming the surface energy barrier. Theoretical studies in this direction have been done in KPSZ01 ; sstrin ; zambelli ; ua ; strin2 ; CS01 ; anglin ; Fedichev ; simula . They are based on an analysis of the collective excitations localized at the surface of the condensate, namely the surface modes Ono . These modes appear as shape deformations that carry a finite angular momentum about the axis of rotation strin2  and have no radial node. In a rotated condensate these surface modes are excited and this leads to the vortex nucleation. A generalization of the Landau criterion book ; strin2 ; Landau  allows to determine at what rotational frequency, the surface mode corresponding to a given angular momentum quantum number is excited and leads to the nucleation of a vortex. The characteristic nucleation determined in this way agrees with the value experimentally observed anglin . Vortices are also nucleated by exciting a particular surface mode through a controlled trap deformation dali2 ; OXFORD  and this problem has been theoretically studied in KPSZ01 ; CS01 .

Thus far theoretical studies of the problem of vortex nucleation in a trapped condensate has been conducted in the framework of interacting bosons using various approximation schemes. It is also known that the stable state of a set of non-interacting bosons in an axisymmetric harmonic trap does not have finite angular momentum along the $`z`$-direction for a rotational frequency less than the trap frequency. A finite amount of interaction makes vortex states energetically feasible at a lower rotational frequency. In this article we study the nucleation of a vortex from the surface to the bulk of a system by solving the one-particle Schr$`\ddot{o}`$dinger equation with a set of non-local and chiral boundary conditions. To that purpose we start by discussing in section II the role of boundary conditions in a many-body problem. In section III, we review the problem of a trapped boson rotating at a given frequency in an infinite plane and briefly discuss the corresponding energy spectrum in a finite disc while applying Dirichlet boundary conditions. In section (IV) we introduce the chiral boundary conditions for rotating bosons in a disc and we show how the Hilbert space splits into bulk and edge states. We subsequently analyze the nucleation mechanism, i.e. the transfer of angular momentum form edge to bulk. The characteristic angular rotation is given in terms of the trap frequency at which the first and then successive vortices are nucleated in the bulk. The variation of the size of the bulk region with increasing rotation is discussed and its physical implication is pointed out.

## II Role of the boundary conditions in a many body problem

We start with the following hamiltonian corresponding to $`N`$ interacting bosons of mass $`m`$

$$H_{mb}=\underset{i=1}{\overset{N}{}}\frac{\mathrm{}^2}{2m}_i^2+\underset{i,j}{}V(|𝒓_i𝒓_j|)E_0$$
(1)
where $`E_0`$ is the ground state energy. Except for some specific cases, one does not know how to diagonalize this hamiltonian. Therefore some approximation schemes must be defined whose purpose is to obtain an effective quadratic hamiltonian. We may consider, for instance, the Feynman description Feyn54  that accounts for the excited states under the form

$$\varphi (𝒓_1,\mathrm{},𝒓_N)=F\varphi _0(𝒓_1,\mathrm{},𝒓_N)$$
(2)
where $`\varphi _0`$ is the exact but unknown ground state wavefunction such that $`H_{mb}\varphi _0=0`$, and we assume that $`F=_i^Nf(𝒓_i)`$. The writing of $`F`$ as a sum over one body terms is exact for the non-interacting problem. For the interacting case, such a decomposition assumes that the interaction is adiabatically switched on. The wavefunction $`\varphi (𝒓)`$ is obtained by minimizing the energy

$$E=\frac{\varphi ^{}H_{mb}\varphi d^N𝒓}{|\varphi |^2d^N𝒓}$$
(3)
where $`d^N𝒓=d𝒓_1\mathrm{}d𝒓_N`$. It can be shown that Feyn54 ; Eric1  the effective energy $`E`$ can be written as

$$E=\rho _0\frac{\mathrm{}^2}{2m}𝑑𝒓f^{}(𝒓)^2f(𝒓)$$
(4)
where $`\rho _0`$ is the ground state density. To obtain the corresponding spectrum, we have to impose boundary conditions on $`f(𝒓)`$. Assuming translational invariance, Feynman obtained that $`E=\frac{\mathrm{}^2}{2m}[\frac{k^2}{S(k)}]`$, where $`S(k)`$ is the structure factor. In a trapped condensate the translational invariance is broken by the presence of a confinement potential. The function $`f(𝒓)`$ is related to the order parameter $`\mathrm{\Psi }(𝒓)`$. The choices for boundary conditions on the order parameter $`\mathrm{\Psi }(𝒓)`$ is broad as it depends on the nature of the confining potential and on the effective one body term generated by the interaction. It might be thus possible to take into account at least partly the effect of interactions by solving a linear Schr$`\ddot{o}`$dinger like equation under suitable choices of boundary conditions. However in the absence of a specific relation between such boundary conditions and the effective interactions, these choices are generally guided by the nature of the problem.

In this paper we study the vortex nucleation in a confined geometry by solving a one-particle Schr$`\ddot{o}`$dinger equation for the condensate wavefunction $`\mathrm{\Psi }(𝒓)`$ with a set of non-local and chiral boundary conditions. Such boundary conditions have been proposed in order to deal with such non-linear problems ericlh . These boundary conditions are motivated by the following considerations. We know KPSZ01 ; sstrin ; zambelli ; ua ; strin2 ; CS01 ; anglin ; Fedichev ; simula  that the dispersion relation for the surface excitations determines the characteristic rotational frequency of vortex nucleation. The proposed boundary conditions are designed in order to provide a clear distinction between the bulk and edge states of a two dimensional rotating boson gas. The angular momentum quantum numbers of edge states as we shall see are higher than those of bulk states. Vortices are then nucleated by transferring a state from the edge to the bulk Hilbert spaces.

## III A Rotating two dimensional boson gas

### III.1 Hamiltonian and energy spectrum for the infinite plane

We consider the hamiltonian of a trapped boson in a two dimensional domain rotating with a uniform angular frequency $`\mathrm{\Omega }`$ :

$$H=\frac{𝐩^2}{2m}+\frac{1}{2}m\omega ^2r^2\mathrm{\Omega }L_z$$
(5)
We define the vector potential

$$𝐀_f=𝒇\times 𝐫$$
(6)
where $`𝒇=(0,0,f)`$. Corresponding pseudo-magnetic fields may be defined by

$$𝐁_f=\mathbf{}\times 𝐀_f=2𝒇$$
(7)
where $`f`$ is either $`\omega `$ or $`\mathrm{\Omega }`$ so that the hamiltonian (5) rewrites under the two equivalent forms

$$H=\frac{1}{2m}(𝐩m𝐀_\omega )^2+(\omega \mathrm{\Omega })L_z$$
(8)
or

$$H=\frac{1}{2m}(𝐩m𝐀_\mathrm{\Omega })^2+\frac{1}{2}m(\omega ^2\mathrm{\Omega }^2)r^2$$
(9)
For $`\omega =\mathrm{\Omega }`$, this hamiltonian is the Landau hamiltonian of a charged particle in a transverse magnetic field written in the symmetric gauge. For this special value the centrifugal force just offsets the confinement and hence the bosonic system becomes unstable.

The eigenfunctions $`\mathrm{\Psi }_{n,l}`$ and the eigenvalues $`E_{n,l}`$ of the hamiltonian for the infinite plane are characterized by two integer quantum numbers $`n,l`$ where $`n𝐍,l𝐙`$. We define $`b_\omega =\frac{m\omega }{\mathrm{}}`$ and $`b_\mathrm{\Omega }=\frac{m\mathrm{\Omega }}{\mathrm{}}`$. The solutions of the corresponding Schr$`\ddot{o}`$dinger equation are

$$\mathrm{\Psi }_{n,l}(r)=C_{n,l}r^{|l|}e^{il\theta }e^{\frac{b_\omega r^2}{2}}{}_{1}{}^{}F_{1}^{}(a,|l|+1;b_\omega r^2)$$
(10)
where $`a=\frac{|l|\frac{\mathrm{\Omega }}{\omega }l+1}{2}\frac{e}{4}=n`$ with $`e=\frac{2E_{n,l}}{\mathrm{}\omega }`$. $`{}_{1}{}^{}F_{1}^{}(a,c;x)`$ is the confluent hypergeometric function Tricomi ; AS  and $`C_{n,l}`$ is a normalization constant. The eigenenergies are

$$E_{n,l}=\mathrm{}\omega (2n+|l|\frac{\mathrm{\Omega }}{\omega }l+1)$$
(11)
For $`l<0`$, the eigenvalues increase with increasing $`\mathrm{\Omega }`$, whereas for $`l>0`$, they decrease with increasing $`\mathrm{\Omega }`$. For $`\frac{\mathrm{\Omega }}{\omega }<1`$, the ground state is always characterized by $`n=0,l=0`$ so that no vortex is nucleated. For $`\mathrm{\Omega }=\omega `$, the energy spectrum is made of Landau levels that are degenerate in angular momentum.

The current density in a given eigenstate is defined by

$$𝐣=\frac{\mathrm{}}{2mi}(\mathrm{\Psi }_{n,l}^{}\mathbf{}\mathrm{\Psi }_{n,l}\mathrm{\Psi }_{n,l}\mathbf{}\mathrm{\Psi }_{n,l}^{}2i\frac{m}{\mathrm{}}𝐀_𝛀|\mathrm{\Psi }_{n,l}|^2)$$
(12)
Its radial component vanishes while its azimuthal component is

$$j_\theta =\frac{\mathrm{}}{m}(\frac{l}{r}\frac{m}{\mathrm{}}\mathrm{\Omega }r)|\mathrm{\Psi }_{n,l}|^2$$
(13)
We define the angular momentum dependent radius $`r_l`$ by

$$r_l=\sqrt{\frac{l}{b_\mathrm{\Omega }}}$$
(14)
For a given angular momentum state, $`j_\theta (r)`$ is positive for $`r<r_l`$ and hence it gives a paramagnetic contribution. It is negative and diamagnetic for $`r>r_l`$ and it vanishes at $`r=r_l`$.

### III.2 Spectrum with Dirichlet boundary conditions (DBC)

We consider now the problem of a trapped rotating boson in a disc of radius $`R`$ imposing Dirichlet boundary conditions. The corresponding spectrum is derived in the same way as for the electron in a perpendicular magnetic field Eric1 ; Eric11 ; Eric2 ; Narevich .

The Dirichlet boundary condition (DBC) $`\mathrm{\Psi }_{n,l}(r=R)=0`$, is according to (10) $`{}_{1}{}^{}F_{1}^{}(a,|l|+1;\mathrm{\Phi })=0`$ where $`\mathrm{\Phi }=b_\omega R^2`$ is equivalent to the magnetic flux. The energy spectrum is obtained from the zeroes of the confluent hypergeometric function $`{}_{1}{}^{}F_{1}^{}`$, that can be separated into two classes according to the sign of the corresponding angular momentum. For $`l0`$, the energy levels are given by

$${}_{1}{}^{}F_{1}^{}(\frac{l(1\frac{\mathrm{\Omega }}{\omega })+1}{2}\frac{\epsilon }{4\mathrm{\Phi }},l+1;\mathrm{\Phi })=0$$
(15)
with $`\epsilon =\frac{2mE_{n,l}R^2}{\mathrm{}^2}=e\mathrm{\Phi }`$. For $`l<0`$ the energy levels are given by

$${}_{1}{}^{}F_{1}^{}(\frac{l(1+\frac{\mathrm{\Omega }}{\omega })+1}{2}\frac{\epsilon }{4\mathrm{\Phi }},l+1;\mathrm{\Phi })=0$$
(16)
It is important to notice that the equation $`{}_{1}{}^{}F_{1}^{}(a,c;x)=0`$ has solutions only for $`a<0`$ and, in the interval $`p<a<p+1`$, it has exactly $`p`$ real solutions. This eliminates the possibility of having for rotating bosons, a ground state given by the lowest Landau level solution for which $`\frac{\epsilon }{4\mathrm{\Phi }}=\frac{l(1\frac{\mathrm{\Omega }}{\omega })+1}{2}`$.

The infinite plane solutions are reached asymptotically for large $`\frac{\mathrm{\Omega }}{\omega }`$ (see Fig.1). There is no difference in this spectrum between bulk and edge states. For $`\frac{\mathrm{\Omega }}{\omega }<1`$, the state $`(n,l)=(0,0)`$ is always the ground state (Fig.1). The energy levels become degenerate in angular momentum when $`\frac{\mathrm{\Omega }}{\omega }=1`$ and $`\mathrm{\Phi }1`$ (Fig. 2 and Eric1 ). Therefore at zero temperature, no vortex can be nucleated at $`\frac{\mathrm{\Omega }}{\omega }<1`$ under the DBC.

We have plotted the energy as a function of the angular momentum for a fixed $`\mathrm{\Phi }`$ in Fig. 3. For the Landau problem of a charged particle in a transverse magnetic field a similar plot, but in a different geometry and only for positive angular momentum states, has been used in Halperin  in order to describe the role of the edge states in the quantum Hall transport. In the present problem as well as in the Landau problem there is no sharp difference between edge and bulk states under DBC.

## IV Chiral Boundary conditions

Dirichlet boundary conditions do not provide a way to separate edge from bulk excitations. As already pointed out, such a separation is necessary for the description of the nucleation of a vortex. We therefore propose a set of non-local and chiral boundary conditions which are more suitable for the present problem. These boundary conditions are akin to the one introduced by Atiyah, Patodi and Singer (APS) in their study of Index theorems for Dirac operators with boundaries APS . Similar boundary conditions have also been applied to the Landau problem on manifolds with boundaries Eric2 ; Narevich . These boundary conditions split the Hilbert space into a direct sum of two orthogonal, infinite dimensional spaces with positive and negative chirality on the boundary. The chirality is determined by the direction of the azimuthal velocity projected on the boundary. A vortex is nucleated as a result of the transfer of a state from the edge to the bulk.

We have already noticed that for a given value of the angular momentum $`l`$, the current flows with a different chirality in regions separated by a ring of radius $`r_l=\sqrt{\frac{l}{\mathrm{\Phi }_\mathrm{\Omega }}}`$. We define the bulk and the edge regions using this particular value of $`r_l`$ as a reference for a given angular momentum. The current associated to that particular angular momentum is respectively paramagnetic and diamagnetic in the bulk and at the edge. Alternatively, we define the bulk and at the edge states for a disc of size $`R`$ so that bulk states have angular momentum $`l<b_\mathrm{\Omega }R^2`$ whereas edge states have $`lb_\mathrm{\Omega }R^2`$.

The azimuthal velocity $`\frac{j_\theta (r)}{|\psi (\stackrel{}{r})|^2}`$, projected on the boundary of the disc has eigenvalues given by

$$\lambda (R)=\frac{1}{R}(lb_\mathrm{\Omega }R^2)=\frac{1}{R}(l\mathrm{\Phi }_\mathrm{\Omega })$$
(17)
where $`\mathrm{\Phi }_\mathrm{\Omega }=b_\mathrm{\Omega }R^2`$. The chiral boundary conditions are now defined in the following way:

For $`\lambda 0`$, namely for $`0<\mathrm{\Phi }_\mathrm{\Omega }l`$

$$_r\psi _l|_R=0$$
(18)
(For any $`n`$ and henceforth we shall drop the subscript $`n`$ in $`\psi `$.)

For $`\lambda <0`$, namely for $`l<\mathrm{\Phi }_\mathrm{\Omega }`$

$$(\frac{}{r}+\frac{i}{r\theta }+b_\mathrm{\Omega }r)\mathrm{\Psi }_l|_{r=R}=0$$
(19)
For the first set of wavefunctions that accounts for the edge states we use Neumann boundary conditions. We could have used as well Dirichlet boundary conditions. However unlike Neumann boundary conditions they give an unphysical discontinuity Eric2 . These wavefunctions are more and more localized towards the outer side of the system for an increasing rotation frequency. For states $`l<\mathrm{\Phi }_\mathrm{\Omega }`$, that corresponds to wavefunctions localized well inside the disc, we impose the mixed boundary condition (19). It is this separation in the dispersion relations of the edge states under the choice of CBC that mimics the effect of interactions. In the many-body theory of vortex nucleation this separation is achieved by solving the Bogoliubov equations under various approximations strin2 ; anglin ; simula  and then by identifying the collective excitations localized at the surface of the condensate.

### IV.1 Spectrum with CBC

According to the chiral boundary conditions when $`\mathrm{\Phi }`$ is increased at a fixed $`\frac{\mathrm{\Omega }}{\omega }`$, the sign of the eigenvalues $`\lambda (R)`$ changes from the positive to the negative. Correspondingly the energy $`\epsilon `$ of a state with a given $`n`$ and $`l`$ changes. This change in energy describes how the corresponding state is transferred from the edge Hilbert space to the bulk Hilbert space at the point $`\mathrm{\Phi }_\mathrm{\Omega }=l`$ (18). This is shown in Fig.4. For large $`\mathrm{\Phi }`$, the infinite plane solutions (11) are reached asymptotically.

For an infinite system we have $`\frac{\epsilon }{4\mathrm{\Phi }}=n+\frac{1}{2}(1+(1\frac{\mathrm{\Omega }}{\omega })l)`$. Therefore $`\frac{\epsilon }{4\mathrm{\Phi }}`$, for a given $`\frac{\mathrm{\Omega }}{\omega }`$, is a linear function of $`l`$ with slope $`(1\frac{\mathrm{\Omega }}{\omega })`$. When chiral boundary conditions are applied, this behaviour is approximately obeyed for the bulk states. But for the edge states the energy increases non-linearly with increasing angular momentum. This is shown in Fig.5. This is also the case for Dirichlet boundary conditions (Fig.3). There is however a quantitative difference and moreover the bulk and the edge states are now separated under these chiral boundary conditions. For a given $`n`$ the spectrum is continuous at the point $`l=\mathrm{\Phi }_\mathrm{\Omega }`$, but its derivative is not. This has been shown in Fig.5 for the first two values of $`n`$. The derivation of the spectrum under these boundary conditions is provided in detail in the appendix. Here we focus on the nucleation of vortices under these boundary conditions.

The Fig.6 shows the effect of an increase of the rotational frequency on the spectrum under the choice of CBC. We have plotted the energies of the bulk and the edge states for four different values of the ratio $`\frac{\mathrm{\Omega }}{\omega }`$. For each value, the quantity $`\mathrm{\Phi }_\mathrm{\Omega }`$ is increased by unit steps from $`1`$ to $`3`$ and the corresponding bulk and edge energies are shown. Under these conditions, the slope of the bulk energy levels increases while the slope of the edge energy levels goes down. The opposite behaviour is observed when, for a fixed $`\mathrm{\Phi }_\mathrm{\Omega }`$, the ratio $`\frac{\mathrm{\Omega }}{\omega }`$ increases. Therefore with increasing rotational frequency, states with higher angular momenta are transferred from the edge Hilbert space to the bulk Hilbert space. The $`l`$-th angular momentum state is nucleated in the bulk from the edge by changing $`\mathrm{\Phi }_\mathrm{\Omega }`$ from $`l`$ to $`l+1`$.

The plots that appear in Fig.6 represent solutions of the stationary Schr$`\ddot{o}`$dinger equation under the choice of CBC at different values of $`\mathrm{\Omega }`$ and $`\mathrm{\Phi }_\mathrm{\Omega }`$. To understand the nucleation of vortices in the condensate with these solutions we use the fact that a condensate is rotated only by nucleating a vortex. Therefore in between nucleations of successive vortices, the radius of the condensate remains constant. This is in contrast to the rotation of a rigid body which flattens out continuously while increasing the rotational frequency. Let us denote by $`\mathrm{\Omega }_1`$, the characteristic frequency for nucleation of the first vortex. For a given $`\mathrm{\Omega }<\mathrm{\Omega }_1`$, the radius of the condensate is $`R`$ and it corresponds to $`\mathrm{\Phi }_\mathrm{\Omega }=1`$. The corresponding bulk and edge energy levels for $`\mathrm{\Phi }_\mathrm{\Omega }=1`$ are obtained from (18) and (19). The condensate is therefore the bulk region that contains only the $`l=0`$ state. At $`\mathrm{\Omega }=\mathrm{\Omega }_1`$, the first vortex is nucleated by transferring the $`l=1`$ state from the edge to the bulk so that $`\mathrm{\Phi }_\mathrm{\Omega }`$ changes from $`1`$ to $`2`$. Therefore the condensate is now defined as the bulk region of $`\mathrm{\Phi }_\mathrm{\Omega }=2`$ and it has a larger radius. The rotational flux transferred by nucleating a vortex is thus $`\frac{h}{m}`$ since this is the unit of $`\mathrm{\Phi }_\mathrm{\Omega }`$. At $`\mathrm{\Omega }=\mathrm{\Omega }_1`$, the edge states for $`\mathrm{\Phi }_\mathrm{\Omega }=1`$ intersects the bulk states for $`\mathrm{\Phi }_\mathrm{\Omega }=2`$. This is energetically favoured since at $`\mathrm{\Omega }=\mathrm{\Omega }_1`$, the energy $`\frac{\epsilon }{4\mathrm{\Phi }}(l)`$ of any state with $`l2`$ is less if $`\mathrm{\Phi }_\mathrm{\Omega }=2`$ rather than $`\mathrm{\Phi }_\mathrm{\Omega }=1`$. In the corresponding many body description KPSZ01 ; anglin ; simula , vortices are nucleated when at higher rotational frequency, a surface energy barrier disappears. The reduction of the edge state energy with the nucleation of a vortex is qualitatively similar to the disappearance of the surface energy barrier.

The characteristic rotational frequency for the nucleation of the first vortex determined using chiral boundary conditions (18,19) is between $`\mathrm{\Omega }=0.35\omega `$ and $`0.36\omega `$ as shown in Fig.7 where $`\omega `$ is the transverse trap frequency. We note that this characteristic nucleation frequency is close to the value $`\mathrm{\Omega }=0.29\omega `$ that has been observed in one of the experiments on vortex nucleation mit . All these features cannot be derived from either the infinite plane or from DBC.

To establish a parallel with the case of superconductors let us mention similar results obtained for the vortex nucleation in a mesoscopic superconducting disc Peeters ; Eric3 ; Lopez . However in a neutral superfluid there is no Maxwell-Amp$`\stackrel{`}{e}`$re equation that can relate the current to the induced rotation .

## V Vortex nucleation for $`\mathrm{\Omega }>\mathrm{\Omega }_1`$

Thus far we have discussed the nucleation of the first vortex. Here we discuss the bulk and edge spectrum under CBC for $`\mathrm{\Omega }>\mathrm{\Omega }_1`$. We consider the following two cases:

1. For a further increase of $`\mathrm{\Omega }`$ beyond $`\mathrm{\Omega }_1`$, the edge states corresponding to $`\mathrm{\Phi }_\mathrm{\Omega }=l`$ crosses the bulk states of $`\mathrm{\Phi }_\mathrm{\Omega }=l+1`$ for $`l2`$ (Fig.6). The corresponding rotational frequencies $`\mathrm{\Omega }_l`$ are the nucleation frequencies of the $`l`$-th vortices. Each of these vortices is nucleated by changing $`\mathrm{\Phi }_\mathrm{\Omega }`$ to $`\mathrm{\Phi }_\mathrm{\Omega }+1`$ and it carries one unit of angular momentum. Characteristic rotational frequencies are presented in the Table 1. Since the bulk and edge energy spectra under CBC is obtained by solving the stationary Schr$`\ddot{o}`$dinger equation in a co-rotating frame, solutions at different values of $`\mathrm{\Omega }`$ can be related one to the other if the rotation is switched on adiabatically. Such experiments dali2 ; OXFORD  have been performed in a deformed rotating trap where the cross-section of the rotating condensate is an ellipse in the plane of rotation. Here we solve the Schr$`\ddot{o}`$dinger equation in a circular domain. This makes the comparison with the experimental results rather difficult. The theoretical work CS01  used an approach different from ours, to explain the nucleation mechanism of the first vortex. It should also be noticed that the adiabatic nucleation of successive vortices has not yet been observed experimentally. For a recent theoretical work on this issue see LSC04 . One of the limitations of our theoretical frame-work is that we are unable to determine the spatial arrangement of more than one vortex inside the condensate.
2. Another interesting point is to find the rotational frequencies at which edge states of $`\mathrm{\Phi }_\mathrm{\Omega }=1`$ intersects the bulk state $`l=2`$ for $`\mathrm{\Phi }_\mathrm{\Omega }=3,4,\mathrm{}`$. The bulk and edge energy levels of the stationary Schr$`\ddot{o}`$dinger equations at these rotational frequencies correspond to a situation where the rotation is suddenly switched on at a frequency higher than $`\mathrm{\Omega }_1`$ and subsequently the system is brought to equilibrium in the co-rotating frame. More than one angular momentum states (and rotational fluxes) are transferred to the bulk at these characteristic frequencies. This leads to the nucleation of a vortex of angular momentum $`l>1`$ or multiple $`l=1`$ vortices at a time. Within the present theoretical framework it is not possible to identify which of these two alternatives is energetically favourable. In Table 2 we have listed these rotational frequencies and the number of angular momenta transferred to the bulk Hilbert space.

Around $`\frac{\mathrm{\Omega }}{\omega }=0.5`$, the number of vortices nucleated in this way increases very fast. Experimentally dali3 ; mit  it has been observed that under sudden switch-on of the rotation at higher rotational frequencies more than one vortices are nucleated and the number of nucleated vortices is the largest, (see for example Fig. 3 in mit ) at $`\mathrm{\Omega }=\frac{\omega }{\sqrt{2}}`$. This is associated with a resonant quadrupolar excitation of angular momentum $`l=2`$. The energy of this quadrupolar surface mode in units of the transverse trap frequency is determined within the classical hydrodynamic approximation that is very different from our approach. Therefore although our findings qualitatively agree with these experimental observations, a quantitative comparison with both the experiments and the related theory is rather involved. A reason for that is the difference in the trap geometry in the two-dimensional plane which is elliptical in the experiment while circular in our case. Another reason is the different theoretical approach that have been used to study the surface excitations in the many-body theory ua ; strin2 ; anglin  and our. The difference between the characteristic rotational frequencies in the above two cases (Table 1 and 2) thus shows that the nucleation frequency of a vortex in the condensate depends on the number of vortices already present.

The radius of the condensate is changed when a vortex is nucleated. Since a boson in the condensate has one more unit of angular momentum when a vortex is nucleated, its orbit has a larger radius. This explains why size of the condensate region increases with successive nucleations. When the $`l`$-th vortex with one unit of angular momentum is nucleated, the condensate region corresponds to $`\mathrm{\Phi }_\mathrm{\Omega }=l+1`$. Therefore at each $`\mathrm{\Omega }_l`$, the radius of the condensate region is defined as

$$r_c|_{\mathrm{\Omega }=\mathrm{\Omega }_l}=\sqrt{\frac{\mathrm{}(l+1)}{m\mathrm{\Omega }_l}}$$
(20)
Between the nucleations of the $`l`$-th and $`(l+1)`$-th vortex, the radius of the bulk region for $`\mathrm{\Phi }_\mathrm{\Omega }=l`$ decreases as $`r=\sqrt{\frac{\mathrm{}(l+1)}{m\mathrm{\Omega }}}`$ and the corresponding edge region grows in size. In Fig.8 using the set of frequencies listed in Table 1 we have plotted the condensate radius. In the same figure we have simultaneously plotted the radius of the bulk region for $`\mathrm{\Phi }_\mathrm{\Omega }=l`$, in between the nucleation of the $`l`$-th and $`(l1)`$-th vortices. This plot involves a set of disconnected lines and the corresponding differences with the condensate region show how the edge region grows between the nucleation of two successive vortices. With the increase of the number of vortices in the condensate these two plots get closer one to the other. In the limit of a large number of vortices, the average rotation approaches the rigid body value Feyn ; dali3 ; Fett . For example, it has been shown in dali3  that experimentally this happens when the number of vortices is around $`10`$ dali3 .

Khawaja et. al. ua  have studied the surface excitations of a trapped three-dimensional Bose-Einstein condensed gas using the Gross-Pitaevskii equation and they have associated the kinetic energy of the surface region to an effective surface tension. Although our approach is different and that we consider a strictly two dimensional system, we can also define an energy associated to the edge by summing the energies of the edge states for $`\mathrm{\Phi }_\mathrm{\Omega }=l`$. For a finite system then a part of this edge energy is used to nucleate vortices .

## VI Conclusion

We have presented a one-particle effective theory that describes the process of vortex nucleation in a two dimensional rotating condensate using a set of non local and chiral boundary conditions. We have shown that the edge states have a dispersion relation distinct from the bulk states. These boundary conditions can be understood as a way to mimic the effect of the interaction between the bosons. We have demonstrated that the properties of vortices thus nucleated agree qualitatively and quantitatively with experimental findings although a more thorough comparison is not possible in the absence of a precise mapping between this set of boundary conditions and the effective interaction. The expression of the characteristic rotational frequency at which vortices are nucleated under adiabatic and sudden switch-on of the rotation is calculated and the change in the condensate size with increasing rotation is also emphasized.

Acknowledgements

We thank the Israel Council for Higher Education for financial support. This work is supported in part by a grant from the Israel Academy of Sciences and the fund for promotion of research at the Technion.

Appendix I

* Case 1: For $`\lambda 00<\mathrm{\Phi }_\mathrm{\Omega }l`$ plugging the explicit form of the wavefunction (10) in equation (18) we get AS

$$(\frac{l}{\mathrm{\Phi }}1)_1F_1(a,l+1;\mathrm{\Phi })+\frac{2a}{l+1}{}_{1}{}^{}F_{1}^{}(a+1,l+2;\mathrm{\Phi })=0$$
(21)
* Case 2: For $`\lambda <0`$ there are two possibilities
* Case 2a: For $`l<0`$ ( negative angular momentum) the spectral boundary condition (19) implies

$$(\frac{}{r}+\frac{i}{r\theta }+b_\mathrm{\Omega }r)\mathrm{\Psi }_{n,l}|_{r=R}=0$$
(22)
Using the explicit form of wavefunction given in (10) we find that this demands

$$2l{}_{1}{}^{}F_{1}^{}(a,|l|;\mathrm{\Phi })\mathrm{\Phi }(1\frac{\mathrm{\Omega }}{\omega })_1F_1(a,|l|+1;\mathrm{\Phi })=0$$
(23)
* Case 2b: The other situation is where $`0l<\mathrm{\Phi }_\mathrm{\Omega }`$. Again using the explicit form of the wavefunction ($`l>0`$) it can be found that

$$\frac{2a}{l+1}{}_{1}{}^{}F_{1}^{}(a+1,l+2;\mathrm{\Phi })(1\frac{\mathrm{\Omega }}{\omega })_1F_1(a,l+1;\mathrm{\Phi })=0$$
(24)
* It can be seen that the lowest Landau level solution exists only if $`\mathrm{\Omega }=\omega `$. If we set $`2b_\omega =b,\omega =\mathrm{\Omega }`$ where $`b=\frac{m\omega _c}{\mathrm{}}`$ and $`\omega _c`$ is the cyclotron frequency, all the above results matches with the results obtained for the Landau problem on a finite disk under chiral boundary condition Eric2 . We solve all these equation with Mathematica Math

To obtain the characteristic frequencies for the nucleation of successive vortices (Table 1) we have solved the equation (21) for $`\mathrm{\Phi }_\mathrm{\Omega }=l`$ and $`\mathrm{\Phi }_\mathrm{\Omega }=l+1`$ simultaneously. For $`l=1`$ the solution yields $`0.35\omega <\mathrm{\Omega }<.36\omega `$ (Fig. 7). The characteristic frequencies listed in Table 2 are obtained from simultaneously solving equation (21) with $`\mathrm{\Phi }_\mathrm{\Omega }=1`$ and equation (24) with $`\mathrm{\Phi }_\mathrm{\Omega }=3,4,5,\mathrm{}`$.


text:
# Conversion of dislocation oscillation waves to spin ones in the vicinity of OPT temperatures

## 1. Introduction

Real crystals contain defects of different nature, which influence its wave properties. The dislocations influence of phonon spectra of real crystals is especially notoriously. Ferromagnetic structure is sensitive to the different influences in the vicinity of the temperatures of Orientation Phase Transitions (OPT). The low stability of the magnetic state of the ferromagnetic near the temperature of OPT relieves an observation of different non-linear effects. Therefore an interaction between dislocations and magnetic structure of magnetics will be revealed at these temperatures.

Phenomenological description of the dislocation ensembles is based on the statistical effects. These effects are not a simple sum of the properties of a number of dislocations. Statistical properties of the dislocation ensembles reveal its wave characteristics. One of these wave effects is a screening of elastic deformations and correct description needs taking into account dislocation cores.

Elastic fields of separated dislocations are screened therefore the behavior of the dislocation core ensemble determinate the interaction with the crystalline structure. Dislocation ensembles move toward the direction of the influence in the case of directed external influence. Crystal glides of a separate dislocation of the ensemble realize a moving of the ensemble in non-crystallographic directions .

## 2. Basic Equations

Quantitative description of the above model of the dislocation ensemble is presented by the equations, which are analogous to the Maxwell’s equations :

(1)
$$\times \widehat{j}(𝐫,t)=_t\widehat{\alpha }(𝐫,t),$$

(2)
$$S\times \widehat{\alpha }(𝐫,t)=B_t\widehat{j}(𝐫,t)\widehat{\sigma }(𝐫,t)$$

Here $`\widehat{j}`$ is the tensor of the density of the defect flow; $`\widehat{\alpha }`$ is the tensor of the defect density; $`\widehat{\sigma }`$ is the tensor of the elastic deformations; $`S`$ is the constant which describes the potential energy of the defect over the unity of the length; $`B`$ is the constant, which describes the inertial properties of the defect. In addition we take into account the equation of the motion of the continuous media in the form:

(3)
$$\rho _t^2\widehat{\sigma }(𝐫,t)=\widehat{C}(𝐫,t;𝐫_1,t_1)\left(\widehat{\sigma }(𝐫,t)+\rho \frac{\widehat{j}(𝐫_1,t_1)}{t_1}\right)𝑑𝐫_1𝑑t_1,$$

where $`\rho `$ is the density; $`\widehat{C}(𝐫,t;𝐫_1,t_1)`$ is the elastic module tensor. We shall take into account the interaction of the dislocation oscillation waves and the magnetization oscillations putting the tensor $`\widehat{C}(𝐫,t;𝐫_1,t_1)`$ as redefined one by magnetic-elastic interaction . When the materials is characterized by strong and intensive magnetic elastic interaction of the dislocation oscillation waves and the magnetic moments, a situation can results in the effects, which occur in the case when the electric-magnetic waves spread in such materials . We point out that the redefined part of $`\widehat{C}(𝐫,t;𝐫_1,t_1)`$ is proportional to dynamic magnetic susceptibility tensor. Eq.(3) is integer-differential equation due to the time and spatial dispersions. Inhomogeneity of the considered material is determinate by the inhomogeneity of the magnetic sub-system. It may be easily achieved near the OPT temperatures by the temperature gradient, or the external magnetic field. Below we shall consider the cases when the sizes of the inhomogeneity along the $`\mathrm{𝟎}𝐱`$ axis are much more than the wavelengths of the considered wave processes. In this case the inhomogeneity will be take into consideration by the dependencies of the ferrimagnetic resonance frequency on the coordinate $`x`$. We shall get in the accordance with the Eq.(3):

(4)
$$\sigma =\widehat{G}(𝐫,t;𝐫_1,t_1)\widehat{C}(𝐫_1,t_1;𝐫_2,t_2)\frac{\widehat{j}(𝐫_2,t_2)}{t_2}𝑑𝐫_1𝑑t_1𝑑𝐫_2𝑑t_2,$$

Here $`\widehat{G}(𝐫,t;𝐫_1,t_1)`$ is the 4th rank tensor of the Green’s function of the Eq.(3)in the case $`\widehat{j}(𝐫,t)=0.`$

## 3. Model simplification

To simplify the model, let us consider screw component oscillations plane wave, which is spread in the $`z0x`$ plane, $`\alpha _{yy}=\alpha `$; ($`\mathrm{𝟎}𝐲`$ axis is the high-symmetry axis). In this case the Eqs.(1), (2) take the form:

(5)
$$_t\alpha =_zj_{xy}_xj_{zy},$$

(6)
$$B_tj_{xy}=S_z\alpha \sigma _{xy},$$

(7)
$$B_tj_{zy}=S_z\alpha \sigma _{zy},$$

In the absence of the magnetic-elastic interaction harmonic dislocation wave is described by the dispersion equation:

(8)
$$\omega ^2=\frac{1}{2B\rho }[\rho C_0+(BC_0+\rho S)k^2\pm \sqrt{k^4(\rho SBC_0)^2+2\rho C_0(BC_0+\rho S)k^2+\rho ^2C_0^2}]$$

Here the sign $`()`$ corresponds to the acoustic wave, and the sign $`(+)`$ corresponds to the dislocation one. Thus the spectrum of the oscillations of the dislocations has a gap $`\omega _0`$:

$$\omega _0=\sqrt{\frac{C_0}{B}}.$$

Here $`C_0=C_{xyxy}^0`$ is the elasticity module. Measured gap value and the value of Eq.(8) in the point $`k=0`$ enable us to determine the constants $`S`$ and $`B.`$

## 4. Dislocation–magnetization interaction

Let us consider the interaction of the time-harmonic dislocation wave with the magnetic subsystem. Neglecting of the spatial dispersion and taking into account Eq.(4) and

$$G_{xyxy}=G_{zyzy}=\frac{1}{\rho \omega ^2},$$

give us for long dislocation waves:

(9)
$$\sigma _{xy}=i\left(\frac{C_0}{\omega }\frac{4g\lambda ^2\mathrm{\Omega }}{M\omega (\mathrm{\Omega }^2\omega ^2)}\right)j_{xy},$$

(10)
$$\sigma _{zy}=i\left(\frac{C_0}{\omega }\frac{4g\lambda ^2\mathrm{\Omega }}{M\omega (\mathrm{\Omega }^2\omega ^2)}\right)j_{zy}.$$

Here $`\omega `$ is the dislocation wave frequency; $`\lambda =\lambda _{xyxy}=\lambda _{zyzy}`$ is the magnetic-elastic constant; $`M`$ is the sample magnetization, the easy axis is directed along $`\mathrm{𝟎}𝐲`$ axis; $`\mathrm{\Omega }`$ is the ferromagnetic resonance frequency, which depends on the coordinate $`x`$; $`g`$ is the gyro-magnet ratio. A substitution of the Eqs.(9), (10) to the Eqs.(6), (7) gives us:

(11)
$$S_z\alpha =i\epsilon (x)j_{xy},$$

(12)
$$S_x\alpha =i\epsilon (x)j_{zy},$$

where

(13)
$$\epsilon (x)=\omega B\frac{1}{\omega }\left(C_0\frac{4g\lambda ^2\mathrm{\Omega }}{M(\mathrm{\Omega }^2\omega ^2)}\right).$$

Then from the Eq.(5) we get:

(14)
$$\frac{S}{\epsilon (x)}_z^2\alpha +S_x\left(\frac{1}{\epsilon (x)}_x\alpha \right)+\omega \alpha =0.$$

Due to the dependence of the frequency $`\mathrm{\Omega }`$ (Eq.(13)) on the coordinate $`x`$ we can find a point $`x_0,`$ in which $`\epsilon (x_0)=0.`$ In this point

$$\mathrm{\Omega }=\mathrm{\Omega }_0=\frac{2g\lambda ^2\omega _0}{(\omega ^2\omega _0^2)C_0M}+\sqrt{\frac{4g^2\lambda ^4\omega _0^2}{(\omega ^2\omega _0^2)^2C_0^2M^2}+\omega ^2}.$$

This point $`x_0`$ could be achieved in materials with $`\lambda 10^8\frac{erg}{cm^3},\mathrm{\Omega }10^9s^1`$ and $`\omega \omega _0(\omega \omega _0)\mathrm{\Omega }.`$

Let us put $`x_0=0.`$ In the vicinity of this point we can write:

(15)
$$\epsilon (x)=\omega bBx,b>0.$$

If a dependence of the ferromagnetic resonance frequency on the coordinate $`x`$ caused by the temperature gradient in the inhomogeneous media, we have

$$b=\frac{4g\lambda ^2(\mathrm{\Omega }_0^2+\omega ^2)}{MB\omega ^2(\mathrm{\Omega }_0^2\omega ^2)^2}\frac{d\mathrm{\Omega }_0}{dT}\frac{dT}{dx}.$$

Usually

$$\frac{d\mathrm{\Omega }_0}{dT}<0,$$

therefore to get $`b>0,`$ we have put

$$\frac{dT}{dx}>0.$$

A substitution of the solution

$$\alpha =\alpha _0(x)e^{i(\omega t\kappa z)},$$

to the Eq.(14) and taking into account the Eq.(15) gives us:

$$_x(\frac{1}{x}_x\alpha _0(x))\left(\frac{\kappa ^2}{x}+\frac{bB\omega ^2}{S}\right)\alpha _0(x)=0.$$

Exact solution of this equation is complicated enough . We are interesting only in the part, which is connected with the singularity :

(16)
$$\alpha _0(x)=\alpha _0(1+\frac{1}{2}\kappa ^2x^2\mathrm{ln}\kappa x).$$

Therefore we have from this equation and the Eqs.(11), (12):

$$j_{xy}=\frac{\kappa \alpha _0S}{bB\omega x}e^{i(\omega t\kappa z)},j_{zy}=i\frac{\kappa ^2\alpha _0S\mathrm{ln}\kappa x}{bB\omega }e^{i(\omega t\kappa z)}.$$

Hence we got the singularities of the components of the dislocation flow tensor and of the components of elastic stresses tensor, as it follows from Eqs.(9), (10). The singularities vanish if we shall take into account magnetization oscillations attenuation:

$$\mathrm{\Omega }\mathrm{\Omega }i\delta \frac{\omega }{gM},$$

where $`\delta `$ is small attenuation in magnetic subsystem . In the Eqs.(11), (12) we have substitute $`\epsilon (x)`$ (Eq.(15))by:

$$\epsilon (x)=bB\omega x+iB\omega \nu .$$

Here

$$\nu =\frac{4\delta \lambda ^2(\omega ^2+\mathrm{\Omega }_0^2)}{\omega B\left[(\mathrm{\Omega }_0^2\omega ^2)^2+\left(\frac{2\omega \mathrm{\Omega }_0\delta }{gM}\right)^2\right]^2M^2}.$$

Let us calculate averaged magnetic-elastic energy which is absorbed in the vicinity of the point $`x=0:`$

$$Q=\frac{i\omega }{2}\overline{\mathrm{}\sigma _{xy}\mathrm{}\epsilon _{xy}}𝑑x.$$

Here averaging is accomplished on the oscillation period; $`\epsilon _{xy}`$ is the component of the elastic deformation tensor.

So we get from the Eq.(9):

$$Q=\frac{1}{2\omega }\left(\frac{S\kappa \alpha _0}{B}\right)^2\frac{\nu dx}{(bx)^2+\nu ^2}.$$

If the value of $`\nu `$ is small, we can write:

$$\frac{\nu }{(bx)^2+\nu ^2}\delta (bx).$$

Hence energy absorption is resonance-like, realized in the narrow area in the vicinity of the point $`x=0,`$ where the dislocation wave frequency coincides with the gap which is redefined by the magnetic-elastic interaction in the dislocation oscillations spectrum. Finally we got:

$$Q=\frac{1}{2b\omega }\left(\frac{S\kappa \alpha _0}{B}\right)^2.$$

The velocity of the absorption of the dislocation oscillation energy depends not on the value of $`\nu `$ because the effective width of the region of intensive energy absorption is proportional to $`\nu .`$

A conversion of the dislocation waves to the spin ones may be realized due to the interaction of these waves with the magnetization oscillations. The space dispersion influence on this process is essential. Let us consider this effect. The value of the magnetic field, which arise due to the elastic deformation is given by

$$H_x=\frac{\lambda \epsilon _{xy}}{M}=2i\frac{\lambda \omega \rho }{M}G(\omega )j_{xy},$$

in the absence of the dispersion. The magnetization we can write as:

$$M_x=\chi _{xx}H_x=ig\frac{S\lambda \kappa \alpha _0\mathrm{\Omega }_0}{bx\omega ^2(\mathrm{\Omega }_0^2\omega ^2)}e^{i(\omega t\kappa z)},$$

$$M_z=\chi _{zx}H_x=g\frac{S\lambda \kappa \alpha _0}{bx\omega (\mathrm{\Omega }_0^2\omega ^2)}e^{i(\omega t\kappa z)}.$$

Here $`\chi _{xx}`$ and $`\chi _{zx}`$ are the components of the tensor of magnetic susceptibility.

One can see that in the point $`x=0`$ magnetisation has a singularity. To take into account spin wave dispersion we have substitute in the Eqs.(11), (12)

$$k^2_x^2,$$

where $`k`$ is the $`x`$ component of the wave vector. Then we get for the spin waves

(17)
$$\beta _x^2M_xbxM_x=igS\alpha _0\frac{\lambda \kappa \mathrm{\Omega }_0}{B(\mathrm{\Omega }_0^2\omega ^2)\omega ^2}e^{i(\omega t\kappa z)},$$

(18)
$$\beta _x^2M_zbxM_z=gS\alpha _0\frac{\lambda \kappa }{B(\mathrm{\Omega }_0^2\omega ^2)\omega }e^{i(\omega t\kappa z)}.$$

The values of $`\chi _{xx}`$ and $`\chi _{zx}`$ are taken in the point $`x=0`$ in these equations,

$$\beta =2gMC_0\gamma \frac{\mathrm{\Omega }_0(\omega ^2\omega _0^2)}{B(\omega ^2\mathrm{\Omega }_0^2)\omega ^2\omega _0^2}>0,$$

where $`\gamma `$ is the inhomogeneous exchange parameter.

## 5. Results and discussion

The solution of the Eqs.(17), (18) describes spin wave which is created by dislocation one. This spin wave moves from the point $`x=0:`$

$$M_x=\frac{gS\alpha _0\lambda \kappa \mathrm{\Omega }_0}{B(\mathrm{\Omega }_0^2\omega ^2)\omega ^2b^{2/3}\beta ^{1/3}}e^{i(\omega t\kappa z)}_0^{\mathrm{}}𝑑\nu \mathrm{exp}\left\{i\left[x\nu \left(\frac{b}{\beta }\right)^{1/3}+\frac{(\nu )^3}{3}\right]\right\},$$

$$M_z=i\frac{gS\alpha _0\lambda \kappa }{B(\mathrm{\Omega }_0^2\omega ^2)\omega b^{2/3}\beta ^{1/3}}e^{i(\omega t\kappa z)}_0^{\mathrm{}}𝑑\nu \mathrm{exp}\left\{i\left[x\nu \left(\frac{b}{\beta }\right)^{1/3}+\frac{(\nu )^3}{3}\right]\right\}.$$

In the region $`|x|>>\lambda ,x<0`$ we can estimate the values of $`M_x`$ and $`M_z`$ as:

$$M_x=\frac{i\mathrm{\Omega }_0}{\omega }M_z=\frac{gS\alpha _0\lambda \kappa \mathrm{\Omega }_0\sqrt{\pi }}{B(\mathrm{\Omega }_0^2\omega ^2)\omega b^{3/4}\beta ^4x^{1/4}}\mathrm{exp}\left\{i\left(\omega t\kappa z\frac{2}{3}\sqrt{\frac{b|x|^3}{\beta }}\frac{\pi }{4}\right)\right\}.$$

This effect takes place in the case when the dislocation wave is directed at some angle $`\theta `$ to the $`\mathrm{𝟎}𝐱`$ axis. We shall estimate the value of $`\theta `$ when the considered conversion is maximal. In the approximation of the geometrical optic a wavelength of dislocation wave is much less than the size of the inhomogeneity

(19)
$$\sqrt{(\omega ^2\omega _0^2)\frac{B}{S}}>>b$$

to the left-hand direction of the reflection point $`x_0`$ which is determined by:

(20)
$$S\kappa ^2+Bb\omega ^2x_0=0,$$

and the amplitude $`\alpha `$ of the oscillations decreases exponentially. The point $`x=0`$ is situated in the right-hand direction from the point $`x_0.`$ The observation of this effect is possible in the case when the points $`x=0`$ and $`x_0`$ are in proximity one to another:

(21)
$$|kx_0|1,$$

where $`k`$ is the $`x`$component of the wave vector.

At the large distance from the reflection point a magnetic-static influence is negligible, and the dispersion equation is:

$$k^2+\kappa ^2=\frac{B}{S}(\omega ^2\omega _0^2).$$

Hence we have

$$\kappa ^2=\frac{B}{S}(\omega ^2\omega _0^2)\mathrm{sin}^2\theta .$$

It is easy to get in the vicinity of the point $`x=0`$

$$k^2+\kappa ^2=\frac{Bb\omega ^2}{S}x,$$

and

$$|k|\kappa =\sqrt{\frac{B}{S}(\omega ^2\omega _0^2)\mathrm{sin}\theta }.$$

We substitute this equation to the equation for $`x_0,`$ which follows from Eq.(20), then to the Eq.(21) and take into account Eq.(19) to get

$$\mathrm{sin}^3\theta \sqrt{\frac{S}{B}}\frac{\omega ^2}{(\omega ^2\omega _0^2)^{3/2}}b<<1.$$

Here we can see that the angle $`\theta `$ is small but is not equal to zero.