Artem Pulkin^1*, Oleg V. Yazyev^1*

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

* Corresponding authors emails: gpulkin@gmail.com, oleg.yazyev@epfl.ch

DOI10.24435/materialscloud:cg-q0 [version v1]

Publication date: Dec 06, 2020

How to cite this record

Artem Pulkin, Oleg V. Yazyev, Controlling the quantum spin Hall edge states in two-dimensional transition metal dichalcogenides, Materials Cloud Archive 2020.161 (2020), doi: 10.24435/materialscloud:cg-q0.

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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Keywords

transition metal dichalcogenides quantum spin Hall effect edge states topological insulators 2D materials SNSF MARVEL ERC EPFL