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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 article, a new method to calculate the electronic density of states in pseudo-binary intermetallic compounds of (A1-xBx)mCn type is developed by combining the coherent potential approximation and the recursion method.
Abstract: A new method to calculate the electronic density of states in pseudo-binary intermetallic compounds of (A1-xBx)mCn type is developed by combining the coherent potential approximation and the recursion method. Numerical examples are given for the density of states of the tight-binding s-band model with a simple atomic structure. An application to the tight-binding d-band model for Y(Fe-Co)2 and Y(Mn-Co)2 compounds with the cubic Laves structure is also given.
6 citations
TL;DR: In this paper, a recently proposed CPA theory for treating randomly diluted antiferromagnets with uniaxial anisotropy is revised, and it is shown that such a procedure, which ignores dynamical effects occasioned by fluctuations in the local anisotropic field, leads to unphysical results beyond certain critical concentrations at which the theory breaks down.
Abstract: A recently proposed CPA theory (Tahir‐Kheli et al), for treating randomly diluted antiferromagnets with uniaxial anisotropy is revised. It is shown that such a procedure, which ignores dynamical effects occasioned by fluctuations in the local anisotropy field, leads to unphysical results beyond certain critical concentrations at which the theory breaks down. A study of the weakness, the relevance and validity of this theory is presented. The theory is expected to be relevant only when applied to systems with relatively small anisotropy. In fact, owing to its simplicity, within its range of validity, we apply a such CPA to analyse the behaviour of the zero‐field antiferromagnetic resonance in the mixed system of manganese and zinc fluorides as function of zinc concentration. Our results are compared with those from several recent experiments and a very good agreement is found. Moreover, the general features and complexity of an alternative CPA formalism which takes into account dynamical effects of fluctua...
6 citations
TL;DR: In this article, the influence of spin-wave excitations on the electronic structure of half-metallicity was examined in the framework of the coherent potential approximation, and it was shown that the half metallicity is easily destroyed due to an appearence of low energy electron excited states in the minority-spin band gap at finite temperature.
Abstract: Finite-temperature magnetic properties of half-metallic materials are investigated on the basis of the first-principles Korringa-Kohn-Rostoker Green's function method. Influences of spin-wave excitations on the electronic structure are examined in the framework of the coherent potential approximation. The calculations show that the half-metallicity is easily destroyed due to an appearence of low-energy electron excited states in the minority-spin band gap at finite temperature. On the other hand, calculated dc conductivity shows that the 100$%$ spin-polarized conduction occurring in half-metallic materials hardly deteriorates even in such a temperature.
6 citations
TL;DR: In this paper, the authors used the ab initio exact muffin-tin orbitals method in combination with the coherent potential approximation to investigate the process of β to ω phase transformation in Ti1−xMox.
6 citations
TL;DR: In this article, the authors measured the vibrational properties of the lowest singlet exciton in anthracene at 10 K. Spectral features due to the 0-0 excitons, vibrons and the multi-particle band edges are interpreted in terms of a classical oscillator model.
Abstract: Thermoreflectance spectra are measured for the vibronic bands of the lowest singlet exciton in anthracene at 10 K. Spectral features due to the 0–0 excitons, vibrons and the multi-particle band edges are interpreted in terms of a classical oscillator model. The characteristic profile of the two-particle absorption band associated with the 390 cm -1 intramolecular vibration is compared with a model calculation by the dynamical coherent potential approximation model. It is concluded that the density of states curve for the exciton has a strong one-dimensional character near the lower band edge, but at higher energies it is of three-dimensional character having a large density of states near the upper edge.
6 citations