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Effect of magnetism on the solubility of 3delements in BCC iron: Results of first-principle investigations

โœ Scribed by Gorbatov, O. I.; Okatov, S. V.; Gornostyrev, Yu. N.; Korzhavyi, P. A.; Ruban, A. V.


Book ID
121002026
Publisher
SP MAIK Nauka/Interperiodica
Year
2013
Tongue
English
Weight
371 KB
Volume
114
Category
Article
ISSN
0031-918X

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We have investigated the structural, magnetic, and electronic properties of SrRu 1-x Cr x O 3 , using firstprinciples density functional theory within the generalized gradient approximation (GGA) + U schemes. The entire series of SrRu 1-x Cr x O 3 (x = 0, 0.125, 0.25, 0.5) are stabilized in the pero