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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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Journal ArticleDOI
TL;DR: In this paper, the role of charge transfer in the order-disorder transition of CsCl type structure transitional alloys such as VMn, TiFe and ScCo is investigated.
Abstract: Intra- and inter-atomic Coulomb interactions have been accounted for in the band theory of the order-disorder transition in binary alloys. The variation of the energy levels of the two kinds of atoms on the two sublattices is determined self-consistently using an extension of the coherent potential approximation (CPA). As an application, the authors investigate the role of the charge transfer in the order-disorder transition of CsCl type structure transitional alloys such as VMn, TiFe and ScCo.

36 citations

Journal ArticleDOI
TL;DR: In this paper, the electron correlation in disordered alloys is discussed in the Hubbard model and a single band model is assumed, and the t -approximation and the coherent potential approximation are used.
Abstract: The electron correlation in disordered alloys is discussed in the Hubbard model. A single band model is assumed, and the t -approximation and the coherent potential approximation are used. It is shown that intra-atomic Coulomb interactions are screened by the effect of electron correlation and effective intra-atomic Coulomb interactions at atomic sites are introduced. As an example their numerical estimation is carried out for Pd–Rh alloys. The effective intra-atomic Coulomb interactions are found to be considerably dependent on the concentration of alloys. By taking into account the electron correlation a generalized transverse spin susceptibility for disordered alloys is also calculated.

36 citations

Journal ArticleDOI
TL;DR: In this paper, a variational method combined with a self-consistent procedure is adopted to discuss the binding energies of heavy-hole excitons in a strained wurtzite GaN/Al 0.7N quantum well by considering the hydrostatic pressure effect and screening due to the electron-hole gas.
Abstract: In the framework of effective mass and single-band approximations, a variational method combined with a self-consistent procedure is adopted to discuss the binding energies of heavy-hole excitons in a strained wurtzite GaN/Al0.3Ga0.7N quantum well by considering the hydrostatic pressure effect and screening due to the electron–hole gas. The built-in electric field in such a structure produced by spontaneous polarization and strain-induced piezoelectric polarization is considered in our calculation. A simplified coherent potential approximation is extended to calculate the energy gaps of the ternary mixed crystal AlxGa1−xN. The result indicates that the binding energies of excitons increase nearly linearly with pressure even when taking into consideration the modification of strain. It is also found that the percentage increase of the binding energy with pressure is influenced by the electron–hole density due to the influence of pressure on the screening and exclusion effects. The excitonic binding energies increase obviously with decreasing barrier thickness due to the built-in electric field.

36 citations

Journal ArticleDOI
TL;DR: In this article, a semiquantitative analysis of (B,T) magnetic phase diagrams in the hexagonal region of the MnFeP1−xAsx (0.15⩽x⵽0.66) series of compounds was carried out.
Abstract: On the basis of the relation T(σ,H) derived within the framework of the Bean–Rodbell model a semiquantitative analysis of (B,T) magnetic phase diagrams in the hexagonal region of the MnFeP1−xAsx (0.15⩽x⩽0.66) series of compounds was carried out. It was found that the first order transition line in the (B,T) plane is terminated by the isolated critical point for x=0.33 and x=0.5 contents. The positive value of dBC/dT and the saturation of the magnetization was found to be in agreement with the experiment. Thus the Bean–Rodbell model and the molecular field approximation can be applied to describe the discontinuous Ferro–Para magnetoelastic phase transition. Semiquantitative agreement between the theoretical and the experimental (B,T) magnetic phase diagrams was obtained. For the MnFeP0.67As0.33 compound the electronic structure calculations were performed by the Korringa–Kohn–Rostoker with the coherent potential approximation method. The density of states (DOS) curve calculated in the nonmagnetic state sho...

35 citations

Journal ArticleDOI
TL;DR: In this paper, a theoretical study of (Zn, Mn)O system codoped with N, and show that this codoping can change the ground state from anti-ferromagnetic to ferromagnetic.

35 citations


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Performance
Metrics
No. of papers in the topic in previous years
YearPapers
20234
202222
202127
202030
201930
201840