First-principles study of electronic str
โ
Lang Sun; Guangshe Li; Wendan Cheng; Liping Li
๐
Article
๐
2010
๐
Elsevier Science
๐
English
โ 613 KB
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