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  • Letter

Z2 topology of bismuth

Irene Aguilera*, Hyun-Jung Kim, Christoph Friedrich, Gustav Bihlmayer, and Stefan Blügel

  • Peter Grünberg Institute and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA, 52425 Jülich, Germany

  • *Corresponding author: i.aguilera@fz-juelich.de; Present address: IEK5-Photovoltaik, Forschungszentrum Jülich, 52425 Jülich, Germany.

Phys. Rev. Materials 5, L091201 – Published 17 September, 2021

DOI: https://doi.org/10.1103/PhysRevMaterials.5.L091201

Abstract

While first-principles calculations with different levels of sophistication predict a topologically trivial Z2 state for bulk bismuth, some photoemission experiments show surface states consistent with the interpretation of bismuth being in a topologically nontrivial Z2 state. We resolve this contradiction between theory and experiment by showing, based on quasiparticle self-consistent GW calculations, that the experimental surface states interpreted as supporting a nontrivial phase are actually consistent with a trivial Z2 invariant. We identify this contradiction as the result of a crosstalk effect arising from the extreme penetration depth of the surface states into the bulk of Bi. A film of Bi can be considered bulklike only for thicknesses of about 1000 bilayers (≈400 nm) and more.

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