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First-principles study of structural, electronic, and magnetic properties of double perovskite

โœ Scribed by Zhang, J. T.; Lu, X. M.; Zhou, J.; Su, J.; Min, K. L.; Huang, F. Z.; Zhu, J. S.


Book ID
126018379
Publisher
The American Physical Society
Year
2010
Tongue
English
Weight
434 KB
Volume
82
Category
Article
ISSN
1098-0121

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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