1. Topological properties of Sb(111) surface: A first-principles study.
- Author
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Wang, Shuangxi, 王, 双喜, Zhang, Ping, and ĺĽ, ĺął
- Subjects
- *
TOPOLOGICAL property , *DENSITY functional theory , *ANTIMONY - Abstract
First-principles calculations based on the density functional theory were performed to systematically study the electronic properties of the thin film of antimony in (111) orientation. By considering the spinâ€"orbit interaction, for stoichiometric surface, the topological states keep robust for six-bilayer case, and can be recovered in the three-bilayer film, which are guaranteed by time-reversal symmetry and inverse symmetry. For reduced surface doped by non-magnetic Bi or magnetic Mn atom, localized three-fold symmetric features can be identified. Moreover, band structures show that the non-trivial topological states stand for non-magnetic substitutional Bi atom, while can be eliminated by adsorbed or substitutional magnetic Mn atom. [ABSTRACT FROM AUTHOR]
- Published
- 2022
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