Abstract
While first-principles calculations with different levels of sophistication predict a topologically trivial state for bulk bismuth, some photoemission experiments show surface states consistent with the interpretation of bismuth being in a topologically nontrivial state. We resolve this contradiction between theory and experiment by showing, based on quasiparticle self-consistent calculations, that the experimental surface states interpreted as supporting a nontrivial phase are actually consistent with a trivial 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 ( nm) and more.
- Received 21 May 2021
- Accepted 23 August 2021
DOI:https://doi.org/10.1103/PhysRevMaterials.5.L091201
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