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Topological metal of NaBi with ultralow lattice thermal conductivity and electron-phonon superconductivity.

ABSTRACT: By means of first-principles and ab initio tight-binding calculations, we found that the compound of NaBi is a three-dimensional non-trivial topological metal. Its topological feature can be confirmed by the presence of band inversion, the derived effective Z2 invariant and the non-trivial surface states with the presence of Dirac cones. Interestingly, our calculations further demonstrated that NaBi exhibits the uniquely combined properties between the electron-phonon coupling superconductivity in nice agreement with recent experimental measurements and the obviously anisotropic but extremely low thermal conductivity. The spin-orbit coupling effects greatly affect those properties. NaBi may provide a rich platform to study the relationship among metal, topology, superconductivity and thermal conductivity.

SUBMITTER: Li R

PROVIDER: S-EPMC4327411 | biostudies-literature | 2015 Feb

REPOSITORIES: biostudies-literature

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Topological metal of NaBi with ultralow lattice thermal conductivity and electron-phonon superconductivity.

Li Ronghan R Cheng Xiyue X Xie Qing Q Sun Yan Y Li Dianzhong D Li Yiyi Y Chen Xing-Qiu XQ

Scientific reports 20150213

By means of first-principles and ab initio tight-binding calculations, we found that the compound of NaBi is a three-dimensional non-trivial topological metal. Its topological feature can be confirmed by the presence of band inversion, the derived effective Z2 invariant and the non-trivial surface states with the presence of Dirac cones. Interestingly, our calculations further demonstrated that NaBi exhibits the uniquely combined properties between the electron-phonon coupling superconductivity ...[more]

PMID: 25676863

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