Journal ArticleDOI
An efficient formulation of the Korringa-Kohn-Rostoker method in the coherent potential approximation for substitutionally disordered alloys
TLDR
In this paper, a formulation of the Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA) for the treatment of substitutionally disordered alloys within the KKR atomic sphere approximation (ASA) was presented.About:
This article is published in Solid State Communications.The article was published on 1990-12-01. It has received 4 citations till now. The article focuses on the topics: Muffin-tin approximation & Coherent potential approximation.read more
Citations
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Ion irradiation and modification: The role of coupled electronic and nuclear energy dissipation and subsequent nonequilibrium processes in materials
TL;DR: In this article, the effects of the electron-phonon (e-ph) coupling strength and athermal processes are demonstrated for preexisting defects and residual damage during ion-solid interactions.
Journal ArticleDOI
The origins of phase stability in ordered and disordered Ni-Pt alloys
TL;DR: In this paper, the effects of relativistic effects on the electronic structure of ordered and substitutionally disordered Ni-Pt alloys were studied using the atomic-sphere approximation formulation of the KCR CPA.
Journal ArticleDOI
Real-space calculations of nonspherically averaged charge densities for substitutionally disordered alloys.
TL;DR: This work has developed a formalism for calculating the non-spherically averaged charge densities of substitutionally disordered alloys using the Korringa-Kohn-Rostoker coherent potential approximation (KKR CPA) method in the atomic-sphere approximation (ASA).
Journal ArticleDOI
Self-Consistent-Field Kkr-Cpa Calculations in the Atomic-Sphere Approximations
TL;DR: In this paper, a formulation of the Korringa-Kohn-Rostoker coherent potential approximation (KKPt-CPA) for the treatment of substitutionally disordered alloys within the KKR atomic-sphere approximation (ASA) was presented.
References
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Journal ArticleDOI
Linear methods in band theory
TL;DR: In this article, the authors proposed a method to improve our understanding of the behavior of real solids by using calculations of the electronic structure of real molecules and solids in order to improve the search for new and better materials.
Journal ArticleDOI
Explicit, First-Principles Tight-Binding Theory
Ole Krogh Andersen,Ove Jepsen +1 more
TL;DR: In this paper, the minimal base of muffin-tin orbitals is transformed exactly into a tight-binding base and the linear transformations, the orbitals, and the Hamiltonian overlap are expressed in terms of one matrix, the canonical structure matrix.
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Illustration of the linear-muffin-tin-orbital tight-binding representation: Compact orbitals and charge density in Si
TL;DR: In this article, the authors derived the tight-binding (TB) orbitals by exact transformation of the conventional set of linear muffin-tin orbitals (LMTO's) for crystalline silicon.
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Calculating properties with the coherent-potential approximation
J. S. Faulkner,G. M. Stocks +1 more
TL;DR: In this article, it was shown that the averaged Green's-function formulation of the Bloch spectral density function leads to manifestly unphysical results and that no manipulation of the expression can eliminate this behavior.
Journal ArticleDOI
The modern theory of alloys
TL;DR: In this paper, the structure of the modern theory of alloys is presented and a theoretical framework for dealing with disordered systems other than metallic alloys such as liquids, amorphous solids, semiconductor alloys, etc.