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First-principles study of the magnetic, structural and electronic properties of LiFeAs

โœ Scribed by Zhang, Xinxin; Wang, Hui; Ma, Yanming


Book ID
126683107
Publisher
Institute of Physics
Year
2010
Tongue
English
Weight
581 KB
Volume
22
Category
Article
ISSN
0953-8984

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Electronic structures of Mg 1-x Cr x O (x = 0, 0.25, 0.5, 0.75) were investigated based on first-principles calculations using generalized gradient approximation (GGA) and GGA + U. Different magnetic and electronic properties are predicted from the calculated spin-dependent density of states near th