Spin fluctuations and peculiarities of semiconductor-metal electronic transitions in almost ferromagnetic compounds of transition metals

The influence of spin fluctuations on the energy spectra of sp and d current carriers in almost ferromagnetic semiconductors based on compounds of d transition metals is examined. It is shown that because electron spectra split in the fluctuating exchange fields in almost ferromagnetic systems, electronic transitions of the type semiconductor-metal are possible, accompanied by the disappearance of energy gaps in the spectra of the sp and d electrons at various temperatures and by a shift of the chemical potential into the region of allowed energies. A specific analysis of similar electronic transitions is presented, based on the almost ferromagnetic compound FeSi. Fiz. Tverd. Tela (St. Petersburg) 41, 1792–1796 (October 1999)     

On the Truncation of Systems with Non-Summable Interactions

In this note we consider long-range q-states Potts models on Z ^d , d≥ 2. For various families of non-summable ferromagnetic pair potentials φ(x)≥ 0, we show that there exists, for all inverse temperature β > 0, an integer N such that the truncated model, in which all interactions between spins at distance larger than N are suppressed, has at least q distinct infinite-volume Gibbs states. This holds, in particular, for all potentials whose asymptotic behaviour is of the type φ(x)∼ ‖x‖^−α, 0≤α≤ d. These results are obtained using simple percolation arguments. Work supported by Swiss National Foundation for Science, Conselho Nacional de Desenvolvimento Cientìfico e Tecnològico, and Programa de Auxìlio para Recèm Doutores PRPq-UFMG.     

Ferromagnetism of binary compounds with cubic symmetry

Based on the idea of a strong interaction within the same unit cell, the possible existence of a ferromagnetic instability in a system with jumps from transition element cations to non-transition element anions and vice versa is established. A phase diagram is constructed for the ferromagnetic ordering as a function of the degree of filling, n _p and n _d , of the p ⁶-and d ¹⁰-shells of non-transition and transition elements, respectively. Zh. éksp. Teor. Fiz. 115, 1393–1410 (April 1999)     

First-Order Phase Transition in Potts Models with Finite-Range Interactions

We consider the Q-state Potts model on Z ^d , Q≥ 3, d≥ 2, with Kac ferromagnetic interactions and scaling parameter γ. We prove the existence of a first order phase transition for large but finite potential ranges. More precisely we prove that for γ small enough there is a value of the temperature at which coexist Q+1 Gibbs states. The proof is obtained by a perturbation around mean-field using Pirogov-Sinai theory. The result is valid in particular for d = 2, Q = 3, in contrast with the case of nearest-neighbor interactions for which available results indicate a second order phase transition. Putting both results together provides an example of a system which undergoes a transition from second to first order phase transition by changing only the finite range of the interaction.     

Absence of Magnetism in Continuous-Spin Systems with Long-Range Antialigning Forces

We consider continuous-spin models on the d-dimensional hypercubic lattice with the spins σ _x a priori uniformly distributed over the unit sphere in ℝ ⁿ (with n≥2) and the interaction energy having two parts: a short-range part, represented by a potential Φ, and a long-range antiferromagnetic part λ|x−y|^−s σ _x ⋅σ _y for some exponent s>d and λ≥0. We assume that Φ is twice continuously differentiable, finite range and invariant under rigid rotations of all spins. For d≥1, s∈(d,d+2] and any λ>0, we then show that the expectation of each σ _x vanishes in all translation-invariant Gibbs states. In particular, the spontaneous magnetization is zero and block-spin averages vanish in all (translation invariant or not) Gibbs states. This contrasts the situation of λ=0 where the ferromagnetic nearest-neighbor systems in d≥3 exhibit strong magnetic order at sufficiently low temperatures. Our theorem extends an earlier result of A. van Enter ruling out magnetized states with uniformly positive two-point correlation functions.     

Effective Hubbard model for Zn-doped CuO2 plane

In the framework of the cell-perturbation method for the original p-d model an effective two-band Hubbard model for the CuO₂ plane with Zn impurities is derived. Zn impurities are modelled by Wannir oxygen one-hole states at vacant Cu sites. The model is based on the results of band structure calculations carried out within the local-density approximation. Further reduction to an extended t-J model shows a large ferromagnetic superexchange interaction between the Cu spin with the nearest virtual oxygen spin in the Zn cell. Received 17 November 1998     

Mean-Field Driven First-Order Phase Transitions in Systems with Long-Range Interactions

We consider a class of spin systems on ℤ ^d with vector valued spins (S _x ) that interact via the pair-potentials J _x,y S _x ⋅S _y . The interactions are generally spread-out in the sense that the J _x,y 's exhibit either exponential or power-law fall-off. Under the technical condition of reflection positivity and for sufficiently spread out interactions, we prove that the model exhibits a first-order phase transition whenever the associated mean-field theory signals such a transition. As a consequence, e.g., in dimensions d≥3, we can finally provide examples of the 3-state Potts model with spread-out, exponentially decaying interactions, which undergoes a first-order phase transition as the temperature varies. Similar transitions are established in dimensions d = 1,2 for power-law decaying interactions and in high dimensions for next-nearest neighbor couplings. In addition, we also investigate the limit of infinitely spread-out interactions. Specifically, we show that once the mean-field theory is in a unique “state,” then in any sequence of translation-invariant Gibbs states various observables converge to their mean-field values and the states themselves converge to a product measure.     

Poisson Approximations for the Ising Model

A d-dimensional Ising model on a lattice torus is considered. As the size n of the lattice tends to infinity, a Poisson approximation is given for the distribution of the number of copies in the lattice of any given local configuration, provided the magnetic field a = a(n) tends to −∞ and the pair potential b remains fixed. Using the Stein-Chen method, a bound is given for the total variation error in the ferromagnetic case. AMS SUBJECT CLASSIFICATION: 60F05, 82B20.     

Kosterlitz-Thouless transition and radiation defects in a superconducting thin film

The thermodynamics of a system of Pearl vortices in a superconducting thin film containing radiation defects is studied. It is shown that three phase transition scenarios are possible, depending on the defect density. At low densities there is one stable state of the system. When the first critical density n _d 1 is reached, there appears a temperature interval in which the system can be in two stable states. If the density exceeds n _d 2, then the lower limit of stability of the metastable states shifts abruptly to zero. Pis’ma Zh. éksp. Teor. Fiz. 69, No. 9, 643–648 (10 May 1999)     

Reactivity and magnetism of Fe/InAs(100) interfaces

Interface reaction and magnetism of epitaxially-grown Fe on InAs(100) are studied by core-level photoemission (As 3d and In 4d) and Fe 2p X-ray magnetic circular dichroism using synchrotron radiation. The reactivity of Fe/InAs(100) is relatively low compared to that of other interfaces involving deposition of 3d metals on III-V semiconductors. As a consequence, we observe a magnetic signal at Fe L_{2, 3} edges for the lowest thicknesses studied (1 ML). The atomic magnetic moment reaches a value close to that of the bulk α-Fe (2.2 μ _B) for Fe coverages exceeding 5 ML. A ferromagnetic compound with approximate stoichiometry of FeAs is formed at the interface. The orbital magnetism represents between 12 and 20% of the total momentum, due to 3d density of states depletion and to crystal-field modification of the electronic levels. These properties make the Fe/InAs(100) interface very promising for spin-tunneling devices. Received 4 April 2002 / Received in final form 13 May 2002 Published online 31 July 2002     

Co/Pd and Co/Pd/CoNi multilayer films: Determination of the sign and magnitude of the exchange interaction of ferromagnetic layers separated by palladium layers

It is found that the exchange interaction of Co (5 nm)ferromagnetic layers via Pd in Co/Pd multilayer films and of Co (5 nm)and CoNi (5 nm) layers via the same nonmagnetic metal in Co/Pd/CoNi films can be both ferro-and antiferromagnetic. The period of the AF-F-AF oscillations is of the order of 0.8 nm, and the amplitude of the oscillations decays as a power-law function ~d _Pd ⁻² . Pis’ma Zh. éksp. Teor. Fiz. 66, No. 7, 487–491 (10 October 1997)     

Surface electron scattering in d-wave superconductors

A theoretical model of a rough surface in a d-wave superconductor is studied for the general case of arbitrary strength of electron scattering by an impurity layer covering the surface. Boundary conditions for quasiclassical Eilenberger equations are derived at the interface between the impurity layer and the d-wave superconductor. The model is applied to the self-consistent calculation of the surface density of states and the critical current in d-wave Josephson junctions. Pis’ma Zh. éksp. Teor. Fiz. 69, No. 3, 242–246 (10 February 1999) Published in English in the original Russian journal. Edited by Steve Torstveit.     

Theoretical study on the electronic and magnetic properties of double perovskite La<Subscript>2−x</Subscript>Sr<Subscript>x</Subscript>MnCoO<Subscript>6</Subscript> (x = 0,1,2)

In this paper, the electronic and magnetic properties of double perovskite La_2−x Sr _x MnCoO₆ (x = 0,1,2) have been studied using the local-spin-density approximation + U method. For the three compositions investigated, the low symmetry P2₁/n structure yields consistently lower energy than that of the high symmetry \hbox{Fm[`3]mFm\bar{3}m} Fm3̅m structure. The strong electronic correlation and the orbital polarization of Co-d electrons play crucial roles. In agreement with experiments, we find that La<sub>2</sub>MnCoO<sub>6</sub> is a ferromagnetic insulator with both Mn and Co ions in their high-spin states. The tilting of oxygen octahedrons is most significant in this case and is responsible for its insulating behavior; for LaSrMnCoO<sub>6</sub>, the ground state remains a ferromagnetic insulator with Mn and Co ions in their high-spin states. The optimized P2<sub>1</sub>/n and \hbox{Fm[`3]mFm\bar{3}m}Fm3̅m crystal structures are nearly the same, and the P2₁/n structure is stabilized by the spontaneous layer-wise antiferro-orbital ordering of Co-d electrons. We also predict that Sr₂MnCoO₆ is a ferromagnetic metal, and its electronic structure can be viewed as a rigid band shifting from that of LaSrMnCoO₆. Due to the strong covalency between transition metal and oxygen ions, the valences of Mn and Co ions differ considerably from those derived from purely ionic model. Also, doping induced holes mainly go to oxygen sites though the density of states near the Fermi energy has strong mixed character. This feature, together with the orbital ordering phenomenon, should be observable via the X-ray near-edge absorption spectroscopy and the polarized X-ray diffraction spectra.     

Photoelectron spectra of thin films of the high-T c superconductor YBa2Cu3O7−δ

The results of calculations of the energy band structure of thin films are used to obtain theoretical photoelectron spectra of the valence band of the compound YBa₂Cu₃O_7−δ for δ=0 and δ=1 at various photon energies; the spectra are averaged over the photoelectron emission angles. The principal structural features of the spectra are determined by the d states of copper atoms, while the variation of the shape of the spectra with increasing photon energy is attributed to a relative decrease in the contribution from the p states of oxygen atoms. The density of d states around the Fermi level for YBa₂Cu₃O₆ films is observed to increase relative to YBa₂Cu₃O₇ films. Fiz. Tverd. Tela (St. Petersburg) 39, 437–440 (March 1997)     

Phase diagrams of (d x 2−y 2+id xy) superconductors on a square lattice

A model of strongly coupled electrons on a square lattice with attraction of the electrons to nearest-neighbor and next-nearest neighbor lattice sites is studied. For this model, the phase diagrams containing d _x ²−y ², d _xy, and (d _x ²−y ²+id _xy) states are constructed in the variables temperature versus chemical potential for different ratios of the corresponding potentials. Pis’ma Zh. éksp. Teor. Fiz. 67, No. 5, 356–360 (10 March 1998)     

Influence of the chalcogen substitution on the character of magnetic ordering in Fe<Subscript>0.5</Subscript>TiS<Subscript>2 − <Emphasis Type="Italic">x</Emphasis></Subscript>Se<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript> intercalated compounds

The crystal structure and magnetic properties of layered Fe_0.5TiS_{2 − x} Se _x (0 ≤ x ≤ 2) compounds intercalated by iron atoms have been investigated. It has been shown that the substitution of selenium for sulfur is accompanied by an increase in the unit cell volume, a transition from the ferromagnetic to antiferromagnetic behavior, and a nonmonotonic variation in the paramagnetic Curie temperature. The intercalated iron atoms are characterized by lower values of the effective moment (3.4–4.0μ_B) as compared to the predicted value (4.89μB) for the Fe²⁺ ion at g = 2. The results obtained have been discussed under the assumption that there are the hybridization of 3d electronic states of intercalated Fe atoms with the electronic states of the TiS_{2 − x} Se _x host compounds and the competition of exchange interactions of different types.     

Thermodynamics of a vortex system in a thin superconducting film with radiation defects

The effect of radiation defects on the thermodynamics of a system of Pearl vortices in a thin superconducting film is examined. The scenario for a Kosterlitz-Thouless transition in this system is shown to depend on the defect concentration n _d . At low concentrations, the transition takes place continuously, while at high concentrations, a range of temperatures exists in which there are two metastable states. The concentrations of free vortices and of vortices captured by defects are calculated as functions of temperature for different defect concentrations n _d . A phase diagram is constructed for the vortex system in the n _d −T plane. Zh. éksp. Teor. Fiz. 116, 1081–1090 (September 1999)     

Phonon-free mechanism of superconductivity in compounds containing quasi-two-dimensional NiB complexes

A study is made of some characteristics of phonon-free pairing of hybridized p and d electrons in planar NiB complexes in the presence of strong short-range Hubbard repulsion. A generalized Hubbard model is used to calculate the superconductivity phase diagram as a function of the degree of underfilling of the 2p ⁶ and 3d ¹⁰ shells in NiB complexes. The phase region of states having the highest superconducting transition temperatures is established. Fiz. Tverd. Tela (St. Petersburg) 40, 198–201 (February 1998)     

Spherical Model in a Random Field

We investigate the properties of the Gibbs states and thermodynamic observables of the spherical model in a random field. We show that on the low-temperature critical line the magnetization of the model is not a self-averaging observable, but it self-averages conditionally. We also show that an arbitrarily weak homogeneous boundary field dominates over fluctuations of the random field once the model transits into a ferromagnetic phase. As a result, a homogeneous boundary field restores the conventional self-averaging of thermodynamic observables, like the magnetization and the susceptibility. We also investigate the effective field created at the sites of the lattice by the random field, and show that at the critical temperature of the spherical model the effective field undergoes a transition into a phase with long-range correlations ∼r ^4−d .     

Zero-Temperature Dynamics of ±J Spin Glasses¶and Related Models

We study zero-temperature, stochastic Ising models σ ^t on Z ^d with (disordered) nearest-neighbor couplings independently chosen from a distribution μ on R and an initial spin configuration chosen uniformly at random. Given d, call μ type ℐ (resp., type ℱ) if, for every x in Z ^d , σ _x ^t flips infinitely (resp., only finitely) many times as t→∞ (with probability one) – or else mixed type ℳ. Models of type ℒ and ℳ exhibit a zero-temperature version of “local non-equilibration”. For d=1, all types occur and the type of any μ is easy to determine. The main result of this paper is a proof that for d=2, ±J models (where μ=αδ _J +(1-α)δ_{- J} ) are type ℳ, unlike homogeneous models (type ℐ) or continuous (finite mean) μ's (type ℳ). We also prove that all other noncontinuous disordered systems are type ℳ for any d≥ 2. The ±J proof is noteworthy in that it is much less “local” than the other (simpler) proof. Homogeneous and ±J models for d≥ 3 remain an open problem. Received: 3 November 1999 / Accepted: 10 April 2000