Institute of Fundamental Technological Research
Polish Academy of Sciences

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Stephen Fahy


Recent publications
1.  Querales-Flores J.D., Aquado-Puente P., Dangić Đ., Cao J., Chudziński P., Todorov T.N., Grüning M., Fahy S., Savić I., Towards temperature-induced topological phase transition in SnTe: a first-principles study, Physical Review B, ISSN: 2469-9969, DOI: 10.1103/PhysRevB.101.235206, Vol.101, pp.235206-1-10, 2020

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 behawior with temperature. These effects should have important implications on bulk electronic and thermoelectric transport in SnTe and other topological insulators.

Affiliations:
Querales-Flores J.D. - other affiliation
Aquado-Puente P. - other affiliation
Dangić Đ. - other affiliation
Cao J. - other affiliation
Chudziński P. - IPPT PAN
Todorov T.N. - other affiliation
Grüning M. - other affiliation
Fahy S. - other affiliation
Savić I. - other affiliation

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