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At the verge of topology: vacancy-driven quantum spin Hall in trivial insulators

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arxiv 2109.11915 v1 pith:YWJ6TZX4 submitted 2021-09-24 cond-mat.mtrl-sci

At the verge of topology: vacancy-driven quantum spin Hall in trivial insulators

classification cond-mat.mtrl-sci
keywords topologicalphasetransitiontrivialvacanciesatomicdensitymechanism
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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Vacancies in materials structure -- lowering its atomic density -- take the system closer to the atomic limit, to which all systems are topologically trivial. Here we show a mechanism of mediated interaction between vacancies inducing a topologically non-trivial phase. Within an {\it ab initio} approach we explore topological transition dependence with the vacancy density in transition metal dichalcogenides. As a case of study, we focus on the PtSe$_2$, to which pristine form is a trivial semiconductor with an energy gap of $1.2$\,eV. The vacancies states lead to a large topological gap of $180$\,meV within the pristine system gap. We derive an effective model describing this topological phase in other transition metal dichalcogenide systems. The mechanism driving the topological phase allows the construction of backscattering protected metallic channels embedded in a semiconducting host.

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