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Relative Abundance of Z2 Topological Order in Exfoliable Two-Dimensional Insulators

Marrazzo, Antimo
•
Gibertini, Marco
•
Campi, Davide
altro
Marzari, Nicola
2019
  • journal article

Periodico
NANO LETTERS
Abstract
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, Z2 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 Z2 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 AsCuLi2 and (platinum) jacutingaite (Pt2HgSe3). 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 Z2 topological order, either unperturbed or driven by small amounts of strain. Such screening highlights a relative abundance of Z2 topological order of around 1% and provides an optimal set of candidates for experimental efforts.
DOI
10.1021/acs.nanolett.9b02689
Archivio
https://hdl.handle.net/20.500.11767/151883
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85076450404
https://arxiv.org/abs/1908.08334
https://ricerca.unityfvg.it/handle/20.500.11767/151883
Diritti
closed access
license:non specificato
license:copyright dell'editore
license uri:na
license uri:publisher
Soggetti
  • Topological insulator...

  • first-principles

  • high-throughput

  • quantum spin Hall

  • two-dimensional mater...

  • Settore FIS/03 - Fisi...

  • Settore PHYS-04/A - F...

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