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

Zhou, Liujiang; Shao, Bin; Shi, Wujun; Sun, Yan; Felser, C.; Yan, Binghai; Frauenheim, Thomas

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

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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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Zhou, Liujiang
Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons198798

Shi, Wujun
Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons179670

Sun, Yan
Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126601

Felser, C.
Claudia Felser, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126916

Yan, Binghai
Binghai Yan, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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引用

Zhou, L., Shao, B., Shi, W., Sun, Y., Felser, C., Yan, B., & Frauenheim, T. (2016). Prediction of the quantum spin Hall effect in monolayers of transition-metal carbides MC (M. =. Ti, Zr, Hf). 2D Materials, 3(3):, pp. 1-9. doi:10.1088/2053-1583/3/3/035022.

引用: https://hdl.handle.net/11858/00-001M-0000-002B-BC68-7

要旨

We report the existence of the quantum spin Hall effect (QSHE) in monolayers of transition-metal carbides MC(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.