๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

First principles study of electronic structure, chemical bonding and elastic properties of BiOCuS

โœ Scribed by Liu-xian PAN; Qing-lin XIA; Shao-long YE; Ning DING; Zi-ran LIU


Book ID
117694827
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
254 KB
Volume
22
Category
Article
ISSN
1003-6326

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First-principles study on electronic str
โœ Wenxia Feng; Shouxin Cui; Haiquan Hu; Peng Feng; Ziye Zheng; Yongxin Guo; Zizhen ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 614 KB

An investigation into the equation of state (EOS), electronic and elastic properties of Zr 2 SC has been conducted by first-principles pseudopotential calculations. The calculated EOS is well consistent with the recent experimental reports. The absence of band gap at the Fermi level and the finite v