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Electronic structure and property studies of the first crowned [60] fulleropyrrolidine

โœ Scribed by Zhixin Guo; Jimin Yan; Yuliang Li; Daoben Zhu


Book ID
105641243
Publisher
SP Science China Press
Year
1999
Tongue
English
Weight
394 KB
Volume
42
Category
Article
ISSN
1674-7291

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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