๐”– Bobbio Scriptorium
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Band Structures and Optical Properties of CBOB Crystal Material Based on First-Principles Study

โœ Scribed by Lin, Chen Sheng; Cheng, Wen Dan; Zhang, Wei Long


Book ID
120416415
Publisher
Trans Tech Publications, Ltd.
Year
2011
Tongue
English
Weight
340 KB
Volume
216
Category
Article
ISSN
1662-8958

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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