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024 7 _ |a 10.1103/PhysRevB.97.035113
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100 1 _ |a Momida, Hiroyoshi
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245 _ _ |a Topological interface states in the natural heterostructure (PbSe) 5 ( Bi 2 Se 3 ) 6 with Bi Pb defects
260 _ _ |a Woodbury, NY
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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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542 _ _ |i 2018-01-09
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700 1 _ |a Bihlmayer, Gustav
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700 1 _ |a Blügel, Stefan
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700 1 _ |a Segawa, Kouji
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700 1 _ |a Ando, Yoichi
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700 1 _ |a Oguchi, Tamio
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773 _ _ |a 10.1103/PhysRevB.97.035113
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