Controlling the Quantum Spin Hall Edge States in Two-Dimensional Transition Metal Dichalcogenides
- Artem Pulkin*
- Oleg V. Yazyev*Oleg V. Yazyev*Email: [email protected]Institute of Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, SwitzerlandNational Centre for Computational Design and Discovery of Novel Materials MARVEL, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, SwitzerlandMore by Oleg V. Yazyev
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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