Prediction of topological phase transition in X2-SiGe monolayers

Research output: Contribution to journalResearch articleContributedpeer-review

Contributors

  • Rosalba Juarez-Mosqueda - , Jacobs University Bremen (Author)
  • Yandong Ma - , Jacobs University Bremen (Author)
  • Thomas Heine - , Jacobs University Bremen, Leipzig University (Author)

Abstract

Quantum spin Hall (QSH) insulators exhibit a bulk insulting gap and metallic edge states characterized by nontrivial topology. Here, we used first-principles calculations to investigate the electronic and topological properties of halogenated silicon germanide (X2-SiGe, with X = F, Cl, and Br) monolayers, which we found to be trivial semiconductors with energy band gaps ranging from 500 meV to 900 meV. Interestingly, we found that under 8% strain, X2-SiGe monolayers behave as QSH insulators with global band gaps between 53 meV and 123 meV. The underlying mechanism of the topological phase transition is the strain-induced s-p band inversion. The nontrivial topological features for the strained X2-SiGe monolayers were further confirmed by the presence of topologically protected edge states that form a single Dirac cone in the middle of the bulk band gaps. Therefore, our results reveal that this new family of QSH insulators is promising for room temperature applications in spintronics and quantum computation devices.

Details

Original languageEnglish
Pages (from-to)3669-3674
Number of pages6
JournalPhysical Chemistry Chemical Physics
Volume18
Issue number5
Publication statusPublished - 2016
Peer-reviewedYes
Externally publishedYes