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A first-principle study of N-neighbor influence on electronic structure and magnetic properties of Fe

โœ Scribed by Yong Kong; Josef Pelzl; Fashen Li


Book ID
114229968
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
152 KB
Volume
195
Category
Article
ISSN
0304-8853

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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