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.

Relative Abundance of Z2 Topological Order in Exfoliable Two-Dimensional Insulators / Marrazzo, A.; Gibertini, M.; Campi, D.; Mounet, N.; Marzari, N.. - In: NANO LETTERS. - ISSN 1530-6984. - 19:12(2019), pp. 8431-8440. [10.1021/acs.nanolett.9b02689]

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

Gibertini M.;
2019

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.
2019
19
12
8431
8440
Relative Abundance of Z2 Topological Order in Exfoliable Two-Dimensional Insulators / Marrazzo, A.; Gibertini, M.; Campi, D.; Mounet, N.; Marzari, N.. - In: NANO LETTERS. - ISSN 1530-6984. - 19:12(2019), pp. 8431-8440. [10.1021/acs.nanolett.9b02689]
Marrazzo, A.; Gibertini, M.; Campi, D.; Mounet, N.; Marzari, N.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/1200927
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