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The electronic and magnetic properties of functionalized silicene: a first-principles study

✍ Scribed by Fu-bao Zheng, Chang-wen Zhang


Book ID
119906046
Publisher
Springer-Verlag
Year
2012
Tongue
English
Weight
452 KB
Volume
7
Category
Article
ISSN
1931-7573

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First-principles study of electronic str
✍ Lang Sun; Guangshe Li; Wendan Cheng; Liping Li πŸ“‚ Article πŸ“… 2010 πŸ› Elsevier Science 🌐 English βš– 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