%0 Journal Article
%A Aguilera, Irene
%A Kim, Hyun-Jung
%A Friedrich, Christoph
%A Bihlmayer, Gustav
%A Blügel, Stefan
%T Z 2 topology of bismuth
%J Physical review materials
%V 5
%N 9
%@ 2475-9953
%C College Park, MD
%I APS
%M FZJ-2021-03546
%P L091201
%D 2021
%X 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.
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000705548700005
%R 10.1103/PhysRevMaterials.5.L091201
%U https://juser.fz-juelich.de/record/896713