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Coherent potential approximation
About: Coherent potential approximation is a research topic. Over the lifetime, 1930 publications have been published within this topic receiving 36805 citations.
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TL;DR: In this paper, a theory to study the electronic density of states (DOS) of trigonal and chain Se1−xTex was presented, and the energy bands of pure Se and Te were calculated by making use of the information of the optical gaps.
Abstract: We present a theory to study the electronic density of states (DOS) of trigonal and chain Se1−xTex. By making use of the information of the optical gaps, we calculate the energy bands of pure Se and Te both in the trigonal and chain form by the tight-binding method. Using this result, we calculate the DOS of trigonal and chain Se1−xTex in the coherent potential approximation for three and one dimension respectively. We also evaluate the optical gap as functions of the Te concentration x, which we compare with experimental data. In view of all these results, we ascertain that some physical properties of a Se1−xTex mixture is different according as the system is a three-dimensional crystal or a one-dimensional chain.
5 citations
TL;DR: In this article, an extended coherent potential approximation is applied to electron-phonon interaction in disordered binary alloys, and numerical calculations are performed for a stochastic tight-binding model including off-diagonal randomness in the additive limit.
Abstract: An extended coherent potential approximation is applied to electron-phonon interaction in disordered binary alloys. Numerical calculations are performed for a stochastic tight-binding model including off-diagonal randomness in the additive limit and results for the temperature dependence of the electronic self-energy and density of states are presented. The density of states can display in the minority band fine structure caused by combined impurity and electron-phonon scattering. The role of the phonon-modulated hopping integrals is discussed.
5 citations
TL;DR: In this article, the conductivity in disordered systems is calculated in terms of electron localisation, at dimensionality d=3 and temperature T=0, within tight-binding models with rectangular, Gaussian, Lorentzian and semi-elliptic probability distributions for the site energies.
Abstract: The conductivity in disordered systems is calculated in terms of electron localisation, at dimensionality d=3 and temperature T=0, within tight-binding models with rectangular, Gaussian, Lorentzian and semi-elliptic probability distributions for the site energies. The method is based on a localisation approach in the sense of Vollhardt and Wolfle (1980, 1982) combined with Velicky's coherent potential approximation framework for the conductivity under the assumption of a semi-elliptic shape for the unperturbed band. Numerical results for DC conductivities, the critical disorder of the metal-insulator transition and mobility edge trajectories are presented with emphasis on the similarities with and differences from earlier work with and without a conductivity pattern. The sensitivity of the critical disorder to the upper momentum cut-off is tested quantitatively.
5 citations
TL;DR: In this article, the spin-polarized electronic structure of disordered bcc and fcc Fe 1 − ǫ x Si x alloys from dilute solid solutions of Si on iron up to FeSi intermetallic compound composition (x = 0.01..0.5) was analyzed.
5 citations
TL;DR: In this paper, it was shown that the equations of the Coherent Potential Approximation (C.P.A) can be solved in real space using the recursion method.
Abstract: We show that the equations of the Coherent Potential Approximation (C.P.A.) can be solved in real space using the recursion method. The Green's function, from which the density of states is calculated, is then represented by a continued fraction, and the method provides a quick and precise solution. A first application is presented
5 citations