Prediction of the quantum spin Hall effect in monolayers of transition-metal carbides MC (M=Ti, Zr, Hf)

Liujiang Zhou; Bin Shao; Wujun Shi; Yan Sun; Claudia Felser; Binghai Yan; Thomas Frauenheim

doi:10.1088/2053-1583/3/3/035022

Prediction of the quantum spin Hall effect in monolayers of transition-metal carbides MC (M=Ti, Zr, Hf)

Liujiang Zhou, Bin Shao, Wujun Shi, Yan Sun, Claudia Felser, Binghai Yan, Thomas Frauenheim

Physics

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39 Scopus citations

Abstract

Wereport the existence of the quantum spin Hall effect (QSHE) in monolayers of transition-metal carbidesMC(M=Zr, Hf). Under ambient conditions, the ZrC monolayer exhibits QSHE with an energy gap of 54 meV, in which topological helical edge states exist. Enhanced d_xy-d_xy interaction induces band inversion, resulting in nontrivial topological features. By applying in-plane strain, the HfC monolayer can be tuned from a trivial insulator to a quantum spin Hall insulator with an energy gap of 170 meV, three times that of the ZrC monolayer. The strong stability of MC monolayers provides a new platform for QSHE and spintronic applications.

Original language	English (US)
Article number	035022
Journal	2D Materials
Volume	3
Issue number	3
DOIs	https://doi.org/10.1088/2053-1583/3/3/035022
State	Published - Sep 13 2016

All Science Journal Classification (ASJC) codes

General Chemistry
General Materials Science
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering

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title = "Prediction of the quantum spin Hall effect in monolayers of transition-metal carbides MC (M=Ti, Zr, Hf)",

abstract = "Wereport the existence of the quantum spin Hall effect (QSHE) in monolayers of transition-metal carbidesMC(M=Zr, Hf). Under ambient conditions, the ZrC monolayer exhibits QSHE with an energy gap of 54 meV, in which topological helical edge states exist. Enhanced dxy-dxy interaction induces band inversion, resulting in nontrivial topological features. By applying in-plane strain, the HfC monolayer can be tuned from a trivial insulator to a quantum spin Hall insulator with an energy gap of 170 meV, three times that of the ZrC monolayer. The strong stability of MC monolayers provides a new platform for QSHE and spintronic applications.",

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T1 - Prediction of the quantum spin Hall effect in monolayers of transition-metal carbides MC (M=Ti, Zr, Hf)

AU - Zhou, Liujiang

AU - Shao, Bin

AU - Shi, Wujun

AU - Sun, Yan

AU - Felser, Claudia

AU - Yan, Binghai

AU - Frauenheim, Thomas

PY - 2016/9/13

Y1 - 2016/9/13

N2 - Wereport the existence of the quantum spin Hall effect (QSHE) in monolayers of transition-metal carbidesMC(M=Zr, Hf). Under ambient conditions, the ZrC monolayer exhibits QSHE with an energy gap of 54 meV, in which topological helical edge states exist. Enhanced dxy-dxy interaction induces band inversion, resulting in nontrivial topological features. By applying in-plane strain, the HfC monolayer can be tuned from a trivial insulator to a quantum spin Hall insulator with an energy gap of 170 meV, three times that of the ZrC monolayer. The strong stability of MC monolayers provides a new platform for QSHE and spintronic applications.

AB - Wereport the existence of the quantum spin Hall effect (QSHE) in monolayers of transition-metal carbidesMC(M=Zr, Hf). Under ambient conditions, the ZrC monolayer exhibits QSHE with an energy gap of 54 meV, in which topological helical edge states exist. Enhanced dxy-dxy interaction induces band inversion, resulting in nontrivial topological features. By applying in-plane strain, the HfC monolayer can be tuned from a trivial insulator to a quantum spin Hall insulator with an energy gap of 170 meV, three times that of the ZrC monolayer. The strong stability of MC monolayers provides a new platform for QSHE and spintronic applications.

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Prediction of the quantum spin Hall effect in monolayers of transition-metal carbides MC (M=Ti, Zr, Hf)

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