Publication date: Dec 06, 2020
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.
No Explore or Discover sections associated with this archive record.
File name | Size | Description |
---|---|---|
data.tar.gz
MD5md5:84edd11a8283c2754ed46623eee29021
|
2.8 GiB | data archive |
README.md
MD5md5:acf8f49e1831f252eda8b82dc06e73a4
|
3.0 KiB | readme file |
2020.161 (version v1) [This version] | Dec 06, 2020 | DOI10.24435/materialscloud:cg-q0 |