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- W2766366844 abstract "Electronic structure, lattice dynamics, and electron-phonon coupling of Li-intercalated bilayer SnS2 are systematically investigated via first-principles density functional theory. The energetically stable configuration for Li-intercalated bilayer SnS2 is /AB/ stacking, which is different from /AA/ stacking for pristine bilayer. There is a charge transfer from Li to bilayer SnS2 and the change of the band structure after Li intercalation can be explained well by a rigid band model, suggesting that the intercalated Li atoms mainly play a role of charge reservoir. Our calculations show that the softening of acoustic phonon near K¯ high-symmetry point make a large contribution to electron-phonon interaction and the superconducting temperature Tc can achieve 14.0 K. Our study suggest that Li-intercalated SnS2, a potential material of lithium-ion battery, may meanwhile be a quasi two-dimensional superconductor." @default.
- W2766366844 created "2017-11-10" @default.
- W2766366844 creator A5001993969 @default.
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- W2766366844 creator A5078890978 @default.
- W2766366844 date "2017-12-01" @default.
- W2766366844 modified "2023-10-01" @default.
- W2766366844 title "Li-intercalated bilayer SnS 2 : A potential superconductor" @default.
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- W2766366844 doi "https://doi.org/10.1016/j.physc.2017.10.009" @default.
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