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000842026 0247_ $$2doi$$a10.1103/PhysRevB.97.035113
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000842026 1001_ $$0P:(DE-Juel1)171667$$aMomida, Hiroyoshi$$b0$$eCorresponding author$$ufzj
000842026 245__ $$aTopological interface states in the natural heterostructure (PbSe) 5 ( Bi 2 Se 3 ) 6 with Bi Pb defects
000842026 260__ $$aWoodbury, NY$$bInst.$$c2018
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000842026 520__ $$aWe 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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000842026 7001_ $$0P:(DE-Juel1)130545$$aBihlmayer, Gustav$$b1$$ufzj
000842026 7001_ $$0P:(DE-Juel1)130548$$aBlügel, Stefan$$b2$$ufzj
000842026 7001_ $$0P:(DE-HGF)0$$aSegawa, Kouji$$b3
000842026 7001_ $$0P:(DE-HGF)0$$aAndo, Yoichi$$b4
000842026 7001_ $$0P:(DE-HGF)0$$aOguchi, Tamio$$b5
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