Abstract
The topological insulating behavior of \ensuremath{\beta}-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 ${\ensuremath{\Gamma}}_{3}^{+}\ensuremath{-}{\ensuremath{\Gamma}}_{2}^{\ensuremath{-}}$ 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.
Published Version
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