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Abstract: The temperature renormalization of the bulk band structure of a topological crystalline insulator, SnTe, is calculated using first-principles methods. We explicitly include the effect of thermal-expansion-induced modification of electronic states and their band inversion on electron-phonon interaction. We show that the direct gap decreases with temperature, as both thermal expansion and electron-phonon interaction drive SnTe towards the phase transition to a topologically trivial phase as temperature increases. The band gap renormalization due to electron-phonon interaction exhibits a nonlinear dependence on temperature as the material approaches the phase transition, while the lifetimes of the conduction band states near the band edge show a nonmonotonic behavior with temperature. These effects should have important implications on bulk electronic and thermoelectric transport in SnTe and other topological insulators.
Fuente: Physical Review B, 2020, 101(23), 235206
Editorial: American Physical Society
Fecha de publicación: 01/06/2020
Nº de páginas: 10
Tipo de publicación: Artículo de Revista
DOI: 10.1103/PhysRevB.101.235206
ISSN: 1098-0121,1550-235X,2469-9950,2469-9969
Url de la publicación: https://doi.org/10.1103/PhysRevB.101.235206
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QUERALES-FLORES, JOSÉ D.
PABLO AGUADO PUENTE
DANGIC, DORDE
CAO, JIANG
CHUDZINSKI, PIOTR
TODOROV, TCHAVDAR N.
GRÜNING, MYRTA
FAHY, STEPHEN
SAVIC, IVANA
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