This title appears in the Scientific Report :
2018
Please use the identifier:
http://dx.doi.org/10.1103/PhysRevB.97.035113 in citations.
Please use the identifier: http://hdl.handle.net/2128/16860 in citations.
Topological interface states in the natural heterostructure (PbSe) 5 ( Bi 2 Se 3 ) 6 with Bi Pb defects
Topological interface states in the natural heterostructure (PbSe) 5 ( Bi 2 Se 3 ) 6 with Bi Pb defects
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 to...
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Personal Name(s): | Momida, Hiroyoshi (Corresponding author) |
---|---|
Bihlmayer, Gustav / Blügel, Stefan / Segawa, Kouji / Ando, Yoichi / Oguchi, Tamio | |
Contributing Institute: |
JARA - HPC; JARA-HPC JARA-FIT; JARA-FIT Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien; IAS-1 |
Published in: | Physical Review B Physical review / B, 97 97 (2018 2018) 3 3, S. 035113 035113 |
Imprint: |
Woodbury, NY
Inst.
2018
|
DOI: |
10.1103/PhysRevB.97.035113 |
Document Type: |
Journal Article |
Research Program: |
Controlling Configuration-Based Phenomena Controlling Spin-Based Phenomena |
Link: |
OpenAccess OpenAccess |
Publikationsportal JuSER |
Please use the identifier: http://hdl.handle.net/2128/16860 in citations.
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. |