凝聚态物理
带隙
拓扑绝缘体
相变
材料科学
重整化
电子能带结构
声子
电子
相(物质)
物理
量子力学
作者
José D. Querales-Flores,Pablo Aguado‐Puente,Đorđe Dangić,Jiang Cao,Piotr Chudziński,Tchavdar N. Todorov,Myrta Grüning,Stephen Fahy,Ivana Savić
出处
期刊:Physical review
日期:2020-06-22
卷期号:101 (23)
被引量:9
标识
DOI:10.1103/physrevb.101.235206
摘要
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.
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