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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;

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

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

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

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

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Citation

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


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