Stable nontrivial Z2 topology in ultrathin Bi (111) films: a first-principles study

Details Stable nontrivial Z2 topology in ultrathin Bi (111) films: a first-principles study Stable nontrivial Z2 topology in ultrathin Bi (111) films: a first-principles study

2011-04-06

arxiv.org/abs/1104.0978v1

Physics

Condensed Matter

Materials Science

5 pages, 3 figures

Scientific paper

10.1103/PhysRevLett.107.136805

Recently, there have been intense efforts in searching for new topological insulator (TI) materials. Based on first-principles calculations, we find that all the ultrathin Bi (111) films are characterized by a nontrivial Z2 number independent of the film thickness, without the odd-even oscillation of topological triviality as commonly perceived. The stable nontrivial Z2 topology is retained by the concurrent band gap inversions at multiple time-reversal-invariant k-points and associated with the intermediate inter-bilayer coupling of the multi-bilayer Bi film. Our calculations further indicate that the presence of metallic surface states in thick Bi(111) films can be effectively removed by surface adsorption.

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