First-principles study on electronic str
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Wenxia Feng; Shouxin Cui; Haiquan Hu; Peng Feng; Ziye Zheng; Yongxin Guo; Zizhen
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Article
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2010
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Elsevier Science
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English
โ 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