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.

Marrazzo, A., Gibertini, M., Campi, D., Mounet, N., Marzari, N. (2019). Relative Abundance of Z 2 Topological Order in Exfoliable Two-Dimensional Insulators. NANO LETTERS, 19(12), 8431-8440 [10.1021/acs.nanolett.9b02689].

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

Campi D.;
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.
Articolo in rivista - Articolo scientifico
first-principles; high-throughput; quantum spin Hall; Topological insulator; two-dimensional material;
English
2019
19
12
8431
8440
none
Marrazzo, A., Gibertini, M., Campi, D., Mounet, N., Marzari, N. (2019). Relative Abundance of Z 2 Topological Order in Exfoliable Two-Dimensional Insulators. NANO LETTERS, 19(12), 8431-8440 [10.1021/acs.nanolett.9b02689].
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/409757
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