First-principle calculation and quasi-harmonic Debye model prediction for elastic and thermodynamic properties of Bi2Te3

作者: Songke Feng , Shuangming Li , Hengzhi Fu

DOI: 10.1016/J.COMMATSCI.2013.09.037

关键词:

摘要: … The computation results indicated that the lattice constant in the c axis increases nonlinearly and the elastic constants C ij and bulk module B 0 increase linearly with increasing the …

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