TY  - JOUR
AU  - Aguilera, Irene
AU  - Kim, Hyun-Jung
AU  - Friedrich, Christoph
AU  - Bihlmayer, Gustav
AU  - Blügel, Stefan
TI  - Z 2 topology of bismuth
JO  - Physical review materials
VL  - 5
IS  - 9
SN  - 2475-9953
CY  - College Park, MD
PB  - APS
M1  - FZJ-2021-03546
SP  - L091201
PY  - 2021
AB  - 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.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000705548700005
DO  - DOI:10.1103/PhysRevMaterials.5.L091201
UR  - https://juser.fz-juelich.de/record/896713
ER  -