Electronic structure of UO2.12 calculated in the coherent potential approximation taking into account strong electron correlations and spin-orbit coupling-Reference-Cited by-同舟云学术

Electronic structure of UO2.12 calculated in the coherent potential approximation taking into account strong electron correlations and spin-orbit coupling

Published:2016-07 Issue:7 Volume:117 Page:655-664
ISSN:0031-918X
Container-title:The Physics of Metals and Metallography
language:en
Short-container-title:Phys. Metals Metallogr.

Author:

Korotin M. A.,Pchelkina Z. V.,Skorikov N. A.,Efremov A. V.,Anisimov V. I.

Publisher

Pleiades Publishing Ltd

Subject

Materials Chemistry,Condensed Matter Physics

Link

http://link.springer.com/content/pdf/10.1134/S0031918X16070103.pdf

Reference33 articles.

1. T. Petit, B. Morel, C. Lemaignan, A. Pasturel, and B. Bigot, “Cohesive properties of UO2,” Philos. Mag. B 73, 893–904 (1996).

2. Y. Baer and J. Schoenes, “Electronic structure and Coulomb correlation energy in UO2 single crystal,” Solid State Commun. 33, 885–888 (1980).

3. S. L. Dudarev, G. A. Botton, S. Y. Savrasov, Z. Szotek, W. M. Temmerman, and A. P. Sutton, “Electronic structure and elastic properties of strongly correlated metal oxides from first principles: LSDA+U, SIC-LSDA and EELS study of UO2 and NiO,” Phys. Status Solidi A 166, 429–443 (1998).

4. R. Laskowski, G. K. H. Madsen, P. Blaha, and K. Schwarz, “Magnetic structure and electric-field gradients of uranium dioxide: An ab initio study,” Phys. Rev. B: Condens. Matter Mater. Phys. 69, 140408 (2004).

5. D. Gryaznov, E. Heifets, and D. Sedmidubsky, “Density functional theory calculations on magnetic properties of compounds,” Phys. Chem. Chem. Phys. 12, 12273–12278 (2010).

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