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research article

Complementary screening for quantum spin Hall insulators in two-dimensional exfoliable materials

Grassano, Davide  
•
Campi, Davide  
•
Marrazzo, Antimo  
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September 13, 2023
Physical Review Materials

Quantum spin Hall insulators are a class of topological materials that has been extensively studied during the past decade. One of their distinctive features is the presence of a finite band gap in the bulk and gapless, topologically protected edge states that are spin-momentum locked. These materials are characterized by a Z(2) topological order where, in the two-dimensional case, a single topological invariant can be even or odd for a trivial or a topological material, respectively. Thanks to their interesting properties, such as the realization of dissipationless spin currents, spin pumping, and spin filtering, they are of great interest in the field of electronics, spintronics, and quantum computing. In this work we perform a high-throughput screening of quantum spin Hall insulators starting from a set of 783 two-dimensional exfoliable materials, recently identified from a systematic screening of the Inorganic Crystal Structure Database, Crystallography Open Database, and Materials Platform for Data Science databases. We find four Z(2) topological insulators and seven direct gap metals that have the potential of becoming quantum spin Hall insulators under a reasonably weak external perturbation.

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Type
research article
DOI
10.1103/PhysRevMaterials.7.094202
Web of Science ID

WOS:001076810200001

Author(s)
Grassano, Davide  
Campi, Davide  
Marrazzo, Antimo  
Marzari, Nicola  
Date Issued

2023-09-13

Publisher

Amer Physical Soc

Published in
Physical Review Materials
Volume

7

Issue

9

Article Number

094202

Subjects

Technology

•

Crystal-Structure Data

•

Transition

•

Database

•

Infrastructure

•

Symmetry

•

Catalog

•

States

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
THEOS  
FunderGrant Number

National Centre for Computational Design and Discovery on Novel Materials (NCCR MARVEL) of the Swiss National Science Foundation

EU Centre of Excellence, MaX Materials design at the eXascale

824143

PRACE

2016163963

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Available on Infoscience
February 14, 2024
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/203701
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