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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, the spin density radial distribution was found to be very similar to that of Fe, although the bands have electrons from both Fe and Pd. The asphericity was determined and was in fair agreement with the results of a coherent potential approximation calculation.
Abstract: Two alloys of the Fe-Pd system have been studied in the disordered state by means of polarized neutrons, Fe0.51Pd0.49 and Fe0.30Pd0.70; the latter was also studied at an intermediate degree of order. The alloy spin density radial distribution was found to be very similar to that of Fe, although the bands have electrons from both Fe and Pd. The asphericity was determined and found to be in fair agreement with the results of a coherent potential approximation calculation. In the case of the partially ordered alloy the individual site form factors were obtained and compared with those deduced from the data measured in ordered PePd3 by other authors.

1 citations

Journal ArticleDOI
TL;DR: In this article, the electronic energy structures of the solid solutions are compared with each other and with binary analogs in the framework of one approximation, and the calculated partial densities of states are compared to the experimental X-ray spectra of silicon in the compounds.
Abstract: The local coherent potential approximation is used in the framework of multiple-scattering theory to calculate the electronic energy structure of solid solutions of silicon carbide Si1-xCRx and boron nitride BN1-xRx and B1-xNRx (x = 0-0.75, R = C, Al, Ti) in a diamond-like modification. The total and partial densities of states are calculated for each atom in the solid solutions. The crystal potential is evaluated in an MT approximation. The lattice parameter is determined by Vegard's rule. The electronic energy structures of the solid solutions are compared with each other and with binary analogs in the framework of one approximation. The calculated partial densities of states are compared with the experimental X-ray spectra of silicon in the compounds. The calculation of the partial charges of atoms at the top of the valence band showed that the charge transfer (0.35 e) from boron to nitrogen in binary 3C BN changes sign in B0.75NC0.25. In the latter system, nitrogen donates 0.19 e to boron, and carbon acts as a donor for the electronic configurations of boron and nitrogen. An electronic structure analysis of the solid solutions indicates that the quasicore resonance states inherent in the binary compounds are delocalized, probably because of the weakening of chemical binding in the solid solutions.

1 citations

Journal ArticleDOI
TL;DR: In this paper, the coherent potential approximation (CPA) is used on a minimal model of diluted magnetic semiconductors (DMS), where the carrier feels a nonmagnetic potential at a magnetic impurity site, and its spin interacts with the localized spins of the magnetic impurities through exchange interactions.
Abstract: The coherent potential approximation (CPA) is used on a minimal model of diluted magnetic semiconductors (DMS), where the carrier feels a nonmagnetic potential at a magnetic impurity site, and its spin interacts with the localized spins of the magnetic impurities through exchange interactions. The CPA equations for one particle Green function are derived and the optical conductivity dependence on the system parameters and temperature is investigated. For illustration, the case of Ga1-xMnxAs is considered and compared with experimental data.

1 citations

Journal ArticleDOI
TL;DR: In this paper, the optical properties of a QW in which the well region is constructed from a binary alloy semiconductor A1−xBx in the coherent potential approximation (CPA) were theoretically studied.
Abstract: We have theoretically studied optical properties of a quantum well (QW) in which the well region is constructed from a binary alloy semiconductor A1−xBx in the coherent potential approximation (CPA). A tight binding model is used for a single particle (electron, hole, Frenkel exciton) in the well composed by a rectangular array of Nxx Nyx Nz sites. The effect of the diagonal randomness is reduced to the coherent potential σ( E), which is assumed to be the same for all sites, and is selfconsistently determined with the average Green’s function. For a slab (∞, ∞, Nz) and wire (∞, Ny, Nz), the density of states ( E) is composed of Nz (or Nyx Nz) subbands, each shows the two (one)-dimensional van-Hove singularity. When x (or 1−x) is small, a B (A) impurity-band always appears at the lower (higher) energy side of the lowest (highest) host-band. The change of ( E) and the absorption spectrum by changing the well-width and the dimensionality is discussed in detail.

1 citations

Journal ArticleDOI
TL;DR: In this article, the electron densities of states of PdH/sub /x obtained with two model descriptions are compared and compared with the results of other methods, including the self-consistent scheme of the coherent potential approximation.
Abstract: The nonstoichiometric PdHx is approximated by two analytic model descriptions. The first, which incorporates only diagonal disorder, makes use of the doubly periodic Bethe lattice. The second, which is capable of incorporating both diagonal and off-diagonal disorder, employs the cluster Bethe lattice method. Both of these model descriptions are incorporated within the self-consistent scheme of the coherent potential approximation. The electron densities of states of PdH/sub /x obtained with these models are presented and compared with the results of other methods.

1 citations


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