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Towards temperature-induced topological phase transition in SnTe: a first-principles study

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.

Otras publicaciones de la misma revista o congreso con autores/as de la Universidad de Cantabria

 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

Autoría

QUERALES-FLORES, JOSÉ D.

DANGIC, DORDE

CAO, JIANG

CHUDZINSKI, PIOTR

TODOROV, TCHAVDAR N.

GRÜNING, MYRTA

FAHY, STEPHEN

SAVIC, IVANA