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First-principles investigation of the structural, magnetic, and electronic properties of olivine

โœ Scribed by Shi, Siqi; Ouyang, Chuying; Xiong, Zhihua; Liu, Lijun; Wang, Zhaoxiang; Li, Hong; Wang, Ding-sheng; Chen, Liquan; Huang, Xuejie


Book ID
125478520
Publisher
The American Physical Society
Year
2005
Tongue
English
Weight
310 KB
Volume
71
Category
Article
ISSN
1098-0121

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โœ L. Wang; L. Hua; L.F. Chen ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 483 KB

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