Relative Abundance of Z(2) Topological Order in Exfoliable Two-Dimensional Insulators

Quantum spin Hall insulators make up a class of two-dimensional materials with a finite electronic band gap in the bulk and gapless helical edge states. In the presence of time-reversal symmetry, Z(2) topological order distinguishes the topological phase from the ordinary insulating one. Some of the phenomena that can be hosted in these materials, from one-dimensional low-dissipation electronic transport to spin filtering, could be promising for many technological applications in the fields of electronics, spintronics, and topological quantum computing. Nevertheless, the rarity of two-dimensional materials that can exhibit nontrivial Z(2) topological order at room temperature hinders development. Here, we screen a comprehensive database we recently identified of 1825 monolayers that can be exfoliated from experimentally known compounds to search for novel quantum spin Hall insulators. Using density-functional and many-body perturbation theory simulations, we identify 13 monolayers that are candidates for quantum spin Hall insulators including high-performing materials such as AsCuL2 and (platinum) jacutingaite (P2HgS3). We also identify monolayer Pd2HgSe3 (palladium jacutingaite) as a novel Kane-Mele quantum spin Hall insulator and compare it with platinum jacutingaite. A handful of promising materials are mechanically stable and exhibit Z(2) topological order, either unperturbed or driven by small amounts of strain. Such screening highlights a relative abundance of Z(2) topological order of around 1% and provides an optimal set of candidates for experimental efforts.


Published in:
Nano Letters, 19, 12, 8431-8440
Year:
Dec 01 2019
Publisher:
Washington, AMER CHEMICAL SOC
ISSN:
1530-6984
1530-6992
Keywords:
Laboratories:




 Record created 2020-01-02, last modified 2020-04-20


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