TY  - JOUR
AU  - Momida, Hiroyoshi
AU  - Bihlmayer, Gustav
AU  - Blügel, Stefan
AU  - Segawa, Kouji
AU  - Ando, Yoichi
AU  - Oguchi, Tamio
TI  - Topological interface states in the natural heterostructure (PbSe) 5 ( Bi 2 Se 3 ) 6 with Bi Pb defects
JO  - Physical review / B
VL  - 97
IS  - 3
SN  - 2469-9950
CY  - Woodbury, NY
PB  - Inst.
M1  - FZJ-2018-00310
SP  - 035113
PY  - 2018
AB  - We study theoretically the electronic band structure of (PbSe)5(Bi2Se3)6, which consists of an ordinary insulator PbSe and a topological insulator Bi2Se3. The first-principles calculations show that this material has a gapped Dirac-cone energy dispersion inside the bulk, which originates from the topological states of Bi2Se3 layers encapsulated by PbSe layers. Furthermore, we calculate the band structures of (BixPb1−xSe)5(Bi2Se3)6 with BiPb antisite defects included in the PbSe layers. The result shows that a high density of BiPb defects can exist in real materials, consistent with the experimentally estimated x of more than 30%. The BiPb defects strongly modify the band alignment between Bi2Se3 and PbSe layers, while the topological interface states of Bi2Se3 are kept as a gapped Dirac-cone-like dispersion.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000419615100002
DO  - DOI:10.1103/PhysRevB.97.035113
UR  - https://juser.fz-juelich.de/record/842026
ER  -