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First principle energy bands and optical properties of insulating crystals

โœ Scribed by Nunzio O. Lipari


Book ID
104578255
Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
349 KB
Volume
6
Category
Article
ISSN
0020-7608

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First-principles investigations of the b
โœ Qinglin Xia; Jianhong Yi; Yanfeng Li; Yuandong Peng; Hongzhong Wang; Chengshang ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 880 KB

We investigate the electronic structures, optical properties and perform a population analysis of the highpressure phase of boron (ฮณ -B 28 ) by the norm-conserving pseudopotential density functional method. We employ the Perdew-Burke-Eruzerhof (PBE) form of the generalized gradient approximation (GG