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First principles investigation of Na doping effects on the structural, magnetic, and electronic properties in SrRuO3

โœ Scribed by Jiao, Peng; Liu, Yi; Wang, Xueye; Chen, Jingjing

Book ID
120049161
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
682 KB
Volume
69
Category
Article
ISSN
0927-0256

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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