Momida, Hiroyoshi ORCID: 0000-0002-3759-1655, Bihlmayer, Gustav ORCID: 0000-0002-6615-1122, Bluegel, Stefan, Segawa, Kouji, Ando, Yoichi ORCID: 0000-0002-3553-3355 and Oguchi, Tamio (2018). Topological interface states in the natural heterostructure (PbSe)(5)(Bi2Se3)(6) with Bi-Pb defects. Phys. Rev. B, 97 (3). COLLEGE PK: AMER PHYSICAL SOC. ISSN 2469-9969

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Abstract

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-x Se)(5)(Bi2Se3)(6) with Bi-Pb antisite defects included in the PbSe layers. The result shows that a high density of Bi-Pb 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.

Item Type: Journal Article
Creators:
CreatorsEmailORCIDORCID Put Code
Momida, HiroyoshiUNSPECIFIEDorcid.org/0000-0002-3759-1655UNSPECIFIED
Bihlmayer, GustavUNSPECIFIEDorcid.org/0000-0002-6615-1122UNSPECIFIED
Bluegel, StefanUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Segawa, KoujiUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Ando, YoichiUNSPECIFIEDorcid.org/0000-0002-3553-3355UNSPECIFIED
Oguchi, TamioUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
URN: urn:nbn:de:hbz:38-199033
DOI: 10.1103/PhysRevB.97.035113
Journal or Publication Title: Phys. Rev. B
Volume: 97
Number: 3
Date: 2018
Publisher: AMER PHYSICAL SOC
Place of Publication: COLLEGE PK
ISSN: 2469-9969
Language: English
Faculty: Unspecified
Divisions: Unspecified
Subjects: no entry
Uncontrolled Keywords:
KeywordsLanguage
PLANE-WAVE METHOD; INSULATOR; SURFACES; FORCESMultiple languages
Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed MatterMultiple languages
Refereed: Yes
URI: http://kups.ub.uni-koeln.de/id/eprint/19903

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