First-principles investigation of the superconducting properties of thallium sulfide

Author(s) Wu, S.; Yan, G.; Cheng, X.
Journal Physica C: Superconductivity and its Applications,
Date Published 07/2019
Abstract We conduct a theoretical, first-principles study of thallium sulfide with the space group FM-3M. We determine the electronic structure, phonon dispersion relations, Eliashberg spectral function, electron-phonon coupling constant (λ) and any superconductivity. The results indicate that this structure is characterized by a much larger electronic density of states at the Fermi level. Both the norm-conserving pseudopotential and ultra-soft pseudopotential are used to study its superconducting properties. The transition temperatures (Tc) for superconductivity are 9.3 K and 4.2 K, while the electron–phonon coupling constants are 0.79 and 0.59, respectively. Tc does not increase with increasing pressure. The superconductivity disappears when the pressure reaches 80 GPa.
DOI 10.1016/j.physc.2019.03.010
ISSN 0921-4534
Citation Wu S, Yan G, Cheng X. First-principles investigation of the superconducting properties of thallium sulfide. Physica C: Superconductivity and its Applications,. 2019;562:1-6.

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