2020
DOI: 10.48550/arxiv.2005.06563
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Temperature dependence of the topological phase transition of BiTeI from first principles

Véronique Brousseau-Couture,
Gabriel Antonius,
Michel Côté

Abstract: A topological phase transition from a trivial insulator to a Z2 topological insulator requires the bulk band gap to vanish. In the case of noncentrosymmetric materials, these phases are separated by a gapless Weyl semimetal phase. However, at finite temperature, the gap is affected by atomic motion, through electron-phonon interaction, and by thermal expansion of the lattice. As a consequence, the phase space of topologically nontrivial phases is affected by temperature. In this paper, the pressure and tempera… Show more

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