scispace - formally typeset
Search or ask a question
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.


Papers
More filters
Journal ArticleDOI
TL;DR: The ground state properties of iron-group transition metals from Sc to Cu have been investigated on the basis of the first-principles momentum dependent local ansatz (MLA) theory as discussed by the authors.
Abstract: The ground-state properties of iron-group transition metals from Sc to Cu have been investigated on the basis of the first-principles momentum dependent local ansatz (MLA) theory. Correlation energy gain is found to show large values for Mn and Fe: 0.090 Ry (Mn) and 0.094 Ry (Fe). The Hund-rule coupling energies are found to be 3000 K (Fe), 1400 K (Co), and 300 K (Ni). It is suggested that these values can resolve the inconsistency in magnetic energy between the density functional theory and the first-principles dynamical coherent potential approximation theory at finite temperatures. Charge fluctuations are shown to be suppressed by the intra-orbital correlations and inter-orbital charge–charge correlations, so that they show nearly constant values from V to Fe: 1.57 (V and Cr), 1.52 (Mn), and 1.44 (Fe), which are roughly twice as large as those obtained by the d band model. The amplitudes of local moments are enhanced by the intra-orbital and inter-orbital spin–spin correlations and show large values fo...

2 citations

Posted Content
TL;DR: The thermodynamic properties of strongly correlated system with binary type of disorder are investigated using the combination of the coherent potential approximation and dynamical mean-field theory as discussed by the authors, where the specific heat has a peak at small temperatures for the concentrations close to the filling of system.
Abstract: The thermodynamic properties of strongly correlated system with binary type of disorder are investigated using the combination of the coherent potential approximation and dynamical mean-field theory. The specific heat has a peak at small temperatures for the concentrations close to the filling of system. This peak is associated with the local moment formation due to Coulomb interaction. The linear coefficient to the specific heat is divergent and the system stays in the non-Fermi-liquid regime.

2 citations

Journal ArticleDOI
TL;DR: In this paper, the authors investigated the effect of finite non-magnetic impurity doping concentration on the critical temperature of the MgB2 superconductor by using the coherent potential approximation.
Abstract: We have investigated the effect of finite non-magnetic impurity doping concentration on the critical temperature (Tc) of the MgB2 superconductor by using the coherent potential approximation. We found, by choosing the chemical potential μ = −0.47t and scattering strength δ = 4.5t, that Tc is reduced with impurity concentration similarly to the measured experimental results.

2 citations

Journal ArticleDOI
TL;DR: In this article, the coherent potential approximation with different orbitals for different spins to treat correlation in mixed high-conduction polymers or magnetic alloys is formulated with different spin configurations.
Abstract: The coherent-potential approximation is formulated with different orbitals for different spins to treat correlation in mixed high-conduction polymers or magnetic alloys.

2 citations

Journal ArticleDOI
TL;DR: In this paper, a model of a random alloy based on a simplified single-s-type-band model was developed to demonstrate the screening of orbitals in the LMTO formalism.
Abstract: We have developed a model of a random alloy based on a simplified single-(s-type-)band model of a solid introduced by Andersen to demonstrate the screening of orbitals in the LMTO formalism. To this model we have applied the coherent-potential approximation in the LMTOS put forward by Kudrnovsky et al. The electronic densities of states calculated showed interesting features similar to those found in realistic calculations, for all types of disorder considered, namely purely diagonal, both diagonal and off-diagonal, and purely off-diagonal.

2 citations


Network Information
Related Topics (5)
Magnetization
107.8K papers, 1.9M citations
91% related
Superconductivity
71.9K papers, 1.3M citations
90% related
Band gap
86.8K papers, 2.2M citations
87% related
Ground state
70K papers, 1.5M citations
85% related
Phase transition
82.8K papers, 1.6M citations
84% related
Performance
Metrics
No. of papers in the topic in previous years
YearPapers
20234
202222
202127
202030
201930
201840