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First-principles study on the electronic properties of BaCu2S2

โœ Scribed by G.B. Liu; X.Q. Wang; X.J. Kuang; A L. He


Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
665 KB
Volume
405
Category
Article
ISSN
0921-4526

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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