Self-consistent cluster theory of disordered alloys

The coherent potential approximation is not sufficiently accurate to describe the details of the energy spectrum of a disordered alloy when the mean free path is short. A new approximation based on treating, self-consistently, clusters of sites is introduced.     

Effective field theory for disordered magnetic alloys

Disordered alloys of magnetic atoms of two types have been considered within the Ising model based on the calculation and analysis of the distribution function of effective fields acting on magnetic atoms. The Curie temperatures, magnetizations of two magnetic “sublattices,” threshold concentrations of magnetic atoms, and magnetic phase diagrams of alloys have been calculated.     

Matrix elements of off-diagonal operator equivalents

A simple derivation of off-diagonal operator equivalents and their matrix elements is given in the framework of Schwinger's coupled boson representation of angular momentum theory. The operator equivalents are up to a factor identical with those recently given by Atkins and Seymour, but they are derived differently without making use of properties of spherical harmonics, symmetrization, 3j coefficients and the Wigner-Eckart theorem.     

Magnetism in FeNiW disordered alloys: Experiment and theory

We report here an experimental study of magnetization of FeNiW alloys at different compositions. We have studied variation of magnetization with temperature (at low external fields) and magnetic field (at low temperatures). The alloy shows para to ferromagnetic transitions across the composition range. We do not find any indication of the spin-glass phase. We have supplemented the experimental work with theoretical analysis using the first-principles tight-binding linear muffin-tin orbitals based augmented space recursion method. Our theoretical estimates of magnetic moment and Curie temperatures agree well with experiment. Our mean-field phase analysis also does not indicate the possibility of a spin-glass phase.     

A real-space study of random extended defects in solids: Application to disordered Stone–Wales defects in graphene

We propose here a first-principles, parameter free, real space method for the study of disordered extended defects in solids. We shall illustrate the power of the technique with an application to graphene sheets with randomly placed Stone–Wales defects and shall examine the signature of such random defects on the density of states as a function of their concentration. The technique is general enough to be applied to a whole class of systems with lattice translational symmetry broken not only locally but by extended defects and defect clusters. The real space approach will allow us to distinguish signatures of specific defects and defect clusters.     

Full-band extended states with random phases in one-dimensional disordered system with specific impurities

We investigate transport properties of electrons in a one-dimensional (1D) disordered system consisting of a host chain attached with specific impurities. Every impurity, labelled by j and possessing site energy , is side-coupled to two adjacent sites of the host chain with hopping integral t _1j and changesthe original nearest-neighbor (NN) hopping to t _2j . We show that if and for all impurities, with t ₀ being the NN hopping of the host chain, the states in the whole band are extended, even though s and positions of impurities are random. The phases of these states, however, are spatially random, corresponding to finite free path and infinite localization length in such a 1D system.Received: 6 May 2004, Published online: 12 July 2004PACS: 72.15.Rn Localization effects (Anderson or weak localization) - 72.80.Ng Disordered solids - 73.20.Jc Delocalization processes     

A mean-field,effective medium theory of random magnetic alloys. II. The random heisenberg model

A classical Heisen berg model is analysed. The interaction is of the RKKY type and only between sites randomly occupied by magnetic atoms. The possible phases are described at various temperatures and concentration of magnetic atoms. The procedure is realistic and not the ‘exactly’ solvable kind studied by earlier workers.     

Anisotropic lattice distortions in random alloys from first-principles theory

Within the framework of the exact muffin-tin orbitals (EMTO) theory we have developed a new method to calculate the total energy for random substitutional alloys. The problem of disorder is treated within the coherent potential approximation (CPA), and the total energy is obtained using the full charge density (FCD) technique. The FCD-EMTO-CPA method is suitable for determination of energy changes due to anisotropic lattice distortions in random alloys. In particular, we calculate the elastic constants of the Cu-rich face centered cubic Cu-Zn alloys ( alpha-brass) and optimize the c/a ratio for the hexagonal Zn-rich alloys for both the epsilon and eta phases.     

Rigorous results concerning a generalized mean-field theory of dilute disordered Ising magnets

A nonlinear integral equation describing the distribution of the internal random field in a disordered Ising system under conditions appropriate to describe a spin-glass is studied.Using the principle of contraction mapping it is shown that the equation has one and only one solution over a finite range of temperatures, corresponding to a nontrivial transition to a spin-glass type state.     

Local distribution approach to disordered binary alloys

We study the electronic structure of the binary alloy and (quantum) percolation model. Our study is based on a self-consistent scheme for the distribution of local Green functions. We obtain detailed results for the density of states, from which the phase diagram of the binary alloy model is constructed, and discuss the existence of a quantum percolation threshold.     

Calculation of the off-diagonal elements of a two-photon laser

An expression for the off-diagonal matrix elements of a two-photon laser is presented, starting directly from the equation of motion for ρ_nm. The cavity loss mechanism has been simulated by a single-photon process. In the case of a two-photon laser well above threshold, an expression for the lowest eigenvalue of the ρ_nm has been found. Saturated two-photon emission has been also treated.     

A finite-action solution to generalized Yang-Mills-Higgs theory

We study the seven-dimensional generalized Yang-Mills-Higgs theory which results by dimensional reduction from eight-dimensional generalized SO(8) Yang-Mills theory. Using an SO(7)-symmetric ansatz, we prove the existence of a weak topologically nontrival finite-action solution.     

一维二元非对角关联无序体系跳跃电导特性

在单电子紧束缚无序模型基础上，建立了一维二元关联无序体系电子跳跃输运直流电导模型，并推导了其直流电导公式，通过计算其直流电导率，探讨了格点能量无序度、非对角关联及温度、外场对体系跳跃电导的影响.计算结果表明，一维二元无序体系的直流电导率随着格点能量无序度的增大而减小；当引入非对角关联时，体系出现退局域化现象，从而使体系的直流电导率增大；温度对体系的电子输运的影响表现为体系的直流电导率随温度的升高而增大；在外加电场的调制下，体系的直流电导率在强场区随电场强度增加而增长很快，呈现出非欧姆定律特性，但在弱场区外场的作用不明显. 关键词： 二元无序体系 跳跃电导 格点能量无序度 非对角关联