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Comparative study of electronic structures and dielectric properties of alumina polymorphs by first-principles methods

โœ Scribed by Lee, Choong-Ki; Cho, Eunae; Lee, Hyo-Sug; Seol, Kwang; Han, Seungwu


Book ID
111694029
Publisher
The American Physical Society
Year
2007
Tongue
English
Weight
522 KB
Volume
76
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