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First‐Principles Prediction of a New Family of Layered Topological Insulators

First‐Principles Prediction of a New Family of Layered Topological Insulators Dozens of layered V2IV2VI6 (V=P, As, Sb, Bi; IV=Si, Ge, Sn, Pb; VI=S, Se, Te) materials are investigated, several of which have been successfully synthesized in experiment. Among them, nine strong topological insulators (TIs), two strong Z2 topological metals (TMs), and nearly twenty trivial insulators are predicted at their equilibrium structures. The TIs are in the (1;111) topological class, with energy gaps ranging from 0.04 to 0.2 eV. The strong Z2 TMs and the trivial insulators belong to the (1;111) and (0;000) topological classes, respectively. Small compressive strains easily turn some of the trivial insulators into strong TIs. This study enriches not only the family of topological materials but also the family of van der Waals layered materials, providing promising candidates for the future spintronic devices. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Advanced Quantum Technologies Wiley

First‐Principles Prediction of a New Family of Layered Topological Insulators

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Publisher
Wiley
Copyright
© 2019 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim
eISSN
2511-9044
DOI
10.1002/qute.201900033
Publisher site
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Abstract

Dozens of layered V2IV2VI6 (V=P, As, Sb, Bi; IV=Si, Ge, Sn, Pb; VI=S, Se, Te) materials are investigated, several of which have been successfully synthesized in experiment. Among them, nine strong topological insulators (TIs), two strong Z2 topological metals (TMs), and nearly twenty trivial insulators are predicted at their equilibrium structures. The TIs are in the (1;111) topological class, with energy gaps ranging from 0.04 to 0.2 eV. The strong Z2 TMs and the trivial insulators belong to the (1;111) and (0;000) topological classes, respectively. Small compressive strains easily turn some of the trivial insulators into strong TIs. This study enriches not only the family of topological materials but also the family of van der Waals layered materials, providing promising candidates for the future spintronic devices.

Journal

Advanced Quantum Technologies – Wiley

Published: Nov 1, 2019

Keywords: ; ; ;

References