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.
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TL;DR: In this article, the authors proposed a possibility of co-doping of Zn and Sn for In in CuInSe2 photovoltaic material to reduce the cost of materials for PVSC production.
Abstract: Computational material design of a strategy for resource security of chalcopyrite-based photovoltaic solar cells (PVSC) is investigated. The electronic structure of CuIn 1 − x Z n 0.5 x S n 0.5 x S e 2 (CIZTS) is calculated by using the self-interaction-corrected local density approximation (SIC-LDA) and the Korringa–Kohn–Rostoker coherent potential approximation (KKR-CPA). It is shown that for any degree of substitution for In, CIZTS has a direct band gap and no impurity state is induced in the band gap. We propose a possibility of substitutional co-doping of Zn and Sn for In in CuInSe2 photovoltaic material to reduce the cost of materials for PVSC production.
4 citations
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TL;DR: In this paper, the magnetic and electronic properties of granular Cu 80 Fe 5 Ni 15 ribbons are investigated by magnetization measurements and first principle calculations and the results have shown the possibility to extend the application of RMA to the granular ribbons.
4 citations
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TL;DR: In this article, a self-consistent theory of the correlation effects in highly correlated systems (HCS) is presented and the Irreducible Green's Functions (IGF) method is discused in detail for the Hubbard model and random Hubbard model.
Abstract: The self-consistent theory of the correlation effects in Highly Correlated Systems(HCS) is presented. The novel Irreducible Green's Functions(IGF) method is discused in detail for the Hubbard model and random Hubbard model. The interpolative solution for the quasiparticle spectrum, which is valid for both the atomic and band limit is obtained. The (IGF) method permits to calculate the quasiparticle spectra of many-particle systems with the complicated spectra and strong interaction in a very natural and compact way. The inelastic scattering corrections leads to the damping of the quasiparticles and are the main topic of the present consideration. The calculation of the damping has been done in a self-consistent way for both limits. For the random Hubbard model the weak coupling case has been considered and the self-energy operator has been calculated using the combination of the IGF method and Coherent Potential Approximation (CPA). The other applications of the method to s-f model, Anderson model, Heisenberg antiferromagnet, electron-phonon interaction models are discussed briefly.
4 citations
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TL;DR: In this article, the optical and magnetic properties of Mn-doped ZnO diluted magnetic semiconductors with acceptor defects by Zn vacancies (VZn) are studied, using the Korringa-Kohn-Rostoker method (KKR) combined with the coherent potential approximation (CPA).
Abstract: Based on first-principles spin-density functional calculations, the optical and magnetic properties of Mn-doped ZnO diluted magnetic semiconductors with acceptor defects by Zn vacancies (VZn) are studied, using the Korringa–Kohn–Rostoker method (KKR) combined with the coherent potential approximation (CPA). Ferromagnetic and half-metallic behaviors were observed and confirmed with the local-moment-disordered (LMD) state energy for local density approximation (LDA) and local density approximation-self-interaction correction (LDA-SIC). The mechanism of hybridization and the interaction between magnetic ions in P-type (Zn, Mn)O are also investigated. Moreover, the optical absorption spectra obtained by ab-initio calculations confirm the ferromagnetic stability based on the charge state of magnetic impurities.
4 citations
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TL;DR: The phonon dispersion relations of Nb-Ta and Pd-Pt alloy systems are calculated in the framework of the coherent potential approximation as discussed by the authors, though only a few experimental data are available to compare with the theory, the satisfactory agreement obtained, indicates the necessity of further experimental and theoretical effort in the study of alloy PHD relations.
Abstract: The phonon dispersion relations of Nb–Ta and Pd–Pt alloy systems are calculated in the framework of the coherent potential approximation. Though only a few experimental data are available to be compared with the theory, the satisfactory agreement obtained, indicates the necessity of further experimental and theoretical effort in the study of alloy phonon dispersion relations.
Die Phononendispersion–Beziehungen von Nb–Ta- und Pd–Pt-Legierungen werden im Rahmen der CPA berechnet. Obwohl derzeit nur wenige experimentelle Daten zum Vergleich mit der Theorie zur Verfugung stehen, zeigt die zufriedenstellende Ubereinstimmung die Notwendigkeit weiterer experimenteller und theoretischer Untersuchungen der Phononendispersion.
4 citations