First-principles study of high-pressure crystal structures and superconductivity of Li3Be alloy
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- 作者：Xu Ying ; xuying3270@cust.edu.cn" class="auth_mail ; Chen Changbo ; Sun Xiuping
- 关键词：Light element alloy ; Superconductivity ; First-principles
- 刊名：Computational Materials Science
- 出版年：1 June 2014
- 年：2014
- 卷：88
- 期：Complete
- 页码：45-49
- 全文大小：1265 K
文摘
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A pressure-induced phase transition from C2/m phase to a newly predicted P21/c phase is observed.
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High superconducting temperatures were predicted for C2/m Li3Be at high pressures.
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The origin of the superconductivity is revealed.
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The superconducting temperature increases with increasing pressure for C2/m Li3Be.
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The C2/m structure of Li3Be is a potential high-temperature superconductor.