Natural sulfur-containing minerals as topological insulators with a wide band gap |
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Authors: | I. V. Silkin T. V. Menshchikova M. M. Otrokov S. V. Eremeev Yu. M. Koroteev M. G. Vergniory V. M. Kuznetsov E. V. Chulkov |
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Affiliation: | 1. Tomsk State University, pr. Lenina 36, Tomsk, 634050, Russia 2. Institute of Strength Physics and Materials Science, Siberian Branch, Russian Academy of Sciences, Akademicheskii pr. 2/4, Tomsk, 634021, Russia 3. Max-Planck Institut f??r Mikrostrukturphysik, Weinberg 2, D-06120, Halle, Germany 4. Donostia International Physics Center (DIPC), Paseo de Manuel Lardizabal, 4, 20018, San Sebastian/Donostia, Basque Country, Spain 5. Departamento de Fisica de Materiales, Facultad de Ciencias Quimicas, UPV/EHU and Centro de Fisica de Materiales, CFM-MPC, Centro Mixto CSIC-UPV/EHU, Apartado 1072, 20080, San Sebastian/Donostia, Basque Country, Spain
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Abstract: | The electronic structure of quaternary natural minerals PbBi2Te2S2 (aleksite), Pb2Bi2Te2S3 (saddlebackite), and PbBi4Te4S3 (C phase) has been theoretically studied. These compounds have a layered structure: aleksite and saddlebackite are formed by seven- and nine-layer blocks, respectively, and C phase consists of five- and seven-layer blocks separated by van der Waals gaps. It has been shown that all studied materials are three-dimensional topological insulators with a wide band gap in the electronic spectrum and have a high spin polarization. For these reasons, they are promising for applications. |
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