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Electronic structure and properties of LaNi5compound from first principles

โœ Scribed by Yeqiong Wu; Mufu Yan


Book ID
107668984
Publisher
Nonferrous Metals Society of China
Year
2010
Tongue
English
Weight
338 KB
Volume
29
Category
Article
ISSN
1001-0521

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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