Published December 6, 2020 | Version v1
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Controlling the quantum spin Hall edge states in two-dimensional transition metal dichalcogenides

  • 1. Institute of Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland

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Description

Two-dimensional transition metal dichalcogenides (TMDs) of Mo and W in their 1T′ crystalline phase host the quantum spin Hall (QSH) insulator phase. We address the electronic properties of the QSH edge states by means of first-principles calculations performed on realistic models of edge terminations of different stoichiometries. The QSH edge states show a tendency to have complex band dispersions and coexist with topologically trivial edge states. We nevertheless identify two stable edge terminations that allow isolation of a pair of helical edge states within the band gap of TMDs, with monolayer 1T′-WSe2 being the most promising material. We also characterize the finite-size effects in the electronic structure of 1T′-WSe2 nanoribbons. Our results provide guidance to the experimental studies and possible practical applications of QSH edge states in monolayer 1T′-TMDs.

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References

Journal reference
A. Pulkin, O. V. Yazyev, J. Phys. Chem. Lett. 11, 6964–6969 (2020), doi: 10.1021/acs.jpclett.0c00859

Journal reference
A. Pulkin, O. V. Yazyev, J. Phys. Chem. Lett. 11, 6964–6969 (2020)

Preprint
A. Pulkin, O. V. Yazyev, arXiv:1907.12481 (2019)