Different topological insulating behavior in β-GaS and GaS-II under uniaxial tension

Xiaochun Huang, Xinyu Zhang, Yong Liu, Yidong Wu, Baisheng Sa, Mingzhen Ma, Zhimei Sun, and Riping Liu
Phys. Rev. B 88, 235301 – Published 2 December 2013

Abstract

The topological insulating behavior of β-GaS and GaS-II is investigated under uniaxial tensile strains, based on ab initio calculations with the Tran–Blaha modified Becke–Johnson potential. We found that the strain-induced topological phase transition only occurs in GaS-II, notwithstanding the same space group. The distinct topological insulating behavior of the two isomers are demonstrated to originate from the variation of the Γ3+Γ2 band gap, which is a direct consequence of the uniaxial-stretching-strengthened interlayer s-s interactions. The present finding provides a new perspective in exploring the topological behavior in materials with similar compositions and space group.

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  • Received 6 July 2013

DOI:https://doi.org/10.1103/PhysRevB.88.235301

©2013 American Physical Society

Authors & Affiliations

Xiaochun Huang1, Xinyu Zhang1,*, Yong Liu1, Yidong Wu1, Baisheng Sa2, Mingzhen Ma1, Zhimei Sun2,3, and Riping Liu1,*

  • 1State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, China
  • 2Department of Materials Science and Engineering, College of Materials, Xiamen University, Xiamen 361005, China
  • 3School of Materials Science and Engineering, Beihang University, Beijing 100191, China

  • *Corresponding authors: xyzhang@ysu.edu.cn; riping@ysu.edu.cn

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Vol. 88, Iss. 23 — 15 December 2013

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