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Temperature effects in the band structure of topological insulators

Materials Science 2016-11-30 v2

Abstract

We study the effects of temperature on the band structure of the Bi2_2Se3_3 family of topological insulators using first-principles methods. Increasing temperature drives these materials towards the normal state, with similar contributions from thermal expansion and from electron-phonon coupling. The band gap changes with temperature reach 0.30.3 eV at 600600 K, of similar size to the changes caused by electron correlation. Our results suggest that temperature-induced topological phase transitions should be observable near critical points of other external parameters.

Keywords

Cite

@article{arxiv.1608.00584,
  title  = {Temperature effects in the band structure of topological insulators},
  author = {Bartomeu Monserrat and David Vanderbilt},
  journal= {arXiv preprint arXiv:1608.00584},
  year   = {2016}
}

Comments

5 pages, 3 figures