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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.

Other publications of the same journal or congress with authors from the University of Cantabria

 Fuente: Physical Review B, 2020, 101(23), 235206

Publisher: American Physical Society

 Publication date: 01/06/2020

No. of pages: 10

Publication type: Article

 DOI: 10.1103/PhysRevB.101.235206

ISSN: 1098-0121,1550-235X,2469-9950,2469-9969

Publication Url: https://doi.org/10.1103/PhysRevB.101.235206

Authorship

QUERALES-FLORES, JOSÉ D.

DANGIC, DORDE

CAO, JIANG

CHUDZINSKI, PIOTR

TODOROV, TCHAVDAR N.

GRÜNING, MYRTA

FAHY, STEPHEN

SAVIC, IVANA