Topic
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 article, a quantized Hamiltonian for optical phonons in disordered materials is presented, including both the short and long-range forces, including the competitive effects of the long range correlation and the local structural fluctuation on the optical phonon.
2 citations
TL;DR: In this paper, the authors performed a coherent potential approximation of the electronic structure of the BaA1-xBxO3 (where A and B are different combinations of the elements Pb, Bi, Sn and Sb) alloy systems with accurate tight-binding hamiltonians.
Abstract: Coherent potential approximation studies of the electronic structure of the BaA1-xBxO3 (where A and B are different combinations of the elements Pb, Bi, Sn and Sb) alloy systems have been performed with accurate tight-binding hamiltonians. The calculations show how semiconducting BaSnO3 evolves into a metal upon alloying with Sb or Bi. Common characteristics of the densities of states are pointed out. Using the rigid muffin-tin approximation an analysis of the superconducting properties is given.
2 citations
TL;DR: In this article, the second order optical response of an exciton-phonon complex was analyzed with the tetradic propagators of the exciton relevant mode system, which dissipates energy into the reservoir of the remaining phonons.
Abstract: Stochastic theory of the second order optical response is presented for a system of exciton-phonon complex The emission spectrum due to the exciton is expressed with the tetradic propagators of the exciton-relevant mode system which dissipates energy into the reservoir of the remaining phonons In this paper the multiple-scattering theory of the dynamical coherent potential approximation is developed for the tetradic propagators of the present non-Hamiltonian system It is shown that the vertex correction associated with the tetradic propagator of the intermediate state in the second order optical process yields finite contribution to the luminescence component in the emission spectrum The equations are obtained for the scattering t -matrices and the vertex corrections in terms of which the emission spectrum due to the exciton is evaluated
2 citations
TL;DR: In this article, total energy calculations based on the Exact Muffin-Tin Orbitals (EMTO) method in combination with coherent potential approximation (CPA) are used to calculate the total energy of A...
Abstract: Ab initio total energy calculations, based on the Exact Muffin-Tin Orbitals (EMTO) method in combination with the coherent potential approximation (CPA), are used to calculate the total energy of A...
2 citations
TL;DR: In this article, a cluster generalization of the coherent potential approximation in the tight-binding linear muffin-tin orbital method was proposed to account for the effect of the local environment on electronic and magnetic properties of substitutional random alloys.
Abstract: We use cluster generalization of the coherent potential approximation in the tight-binding linear muffin-tin orbital method to account for the effect of the local environment on electronic and magnetic properties of substitutional random alloys. This theory combines the augmented space formalism and conventional tight-binding linear muffin-tin orbital methods. In particular, we shall apply the technique to the bcc-based NiAl and fcc-based CuAu alloys and also compare with other approaches.
2 citations