Journal ArticleDOI
Application of Coherent-Potential Approximation to Disordered Muffin-Tin Alloys
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In this article, a coherent-potential approximation for obtaining the electronic density of states and component charge densities in disordered muffin-tin alloys is presented. Butler et al. showed that self-consistency in treating disorder influences the electronic spectrum.Abstract:
I report implementation of the coherent-potential approximation for obtaining the electronic density of states and component charge densities in disordered muffin-tin alloys. Illustrative results for ${\mathrm{Cu}}_{x}{\mathrm{Ni}}_{1\ensuremath{-}x}$ are presented. The extent to which the self-consistency in treating disorder influences the electronic spectrum is considered.read more
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Journal ArticleDOI
Fast Korringa-Kohn-Rostoker coherent potential approximation and its application to FCC Ni-Fe systems
TL;DR: In this paper, a fast KKR CPA method is explained and its convergence properties are examined numerically, and it is shown that a step number of N 300, which determines the number of k-points used for the numerical integration in the k-space as well as a number of iteration steps in determining the coherent t-matrix, is sufficient for most purposes, including total energy calculations.
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Electronic density of states and the x-ray photoelectron spectra of the valence band of Cu-Pd alloys.
TL;DR: Self-consistent-field Korringa-Kohn-Rostoker coherent-potential-approximation calculations of the electronic density of states of random Cu/sub c/Pd/sub 1-c/ alloys find strong hybridization of the palladium d bands with the copper d bands over the entire concentration range.
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Theory of valence-band XPS spectra of random alloys: application to AgxPd1-x
TL;DR: In this article, multiple scattering theory is used to obtain a local, one-electron approximation for calculating the valence-band XPS spectra of solids and the generalisation to random substitutional alloys is described.
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On the Fermi surfaces of paramagnetic CucNi1-c alloys
TL;DR: In this paper, the authors studied the Fermi surfaces of CucNi1-c alloys for c=87, 77, 62, 39 and 19 at.% within the atomic sphere approximation to the KKR-CPA scheme.
Journal ArticleDOI
Intermediate Coupling Model of the Cuprates
TL;DR: In this article, a robust, ''beyond LDA'' framework for obtaining wide-ranging properties of the cuprates via a GW-approximation based self-consistent self-energy correction for incorporating correlation effects is delineated.