| Hauptseite > Publikationsdatenbank > Topological interface states in the natural heterostructure (PbSe) 5 ( Bi 2 Se 3 ) 6 with Bi Pb defects > print |
| 001 | 842026 | ||
| 005 | 20230426083155.0 | ||
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| 100 | 1 | _ | |a Momida, Hiroyoshi |0 P:(DE-Juel1)171667 |b 0 |e Corresponding author |u fzj |
| 245 | _ | _ | |a Topological interface states in the natural heterostructure (PbSe) 5 ( Bi 2 Se 3 ) 6 with Bi Pb defects |
| 260 | _ | _ | |a Woodbury, NY |c 2018 |b Inst. |
| 336 | 7 | _ | |a article |2 DRIVER |
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| 520 | _ | _ | |a 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. |
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