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Tunable electronic structure in twisted WTe2/WSe2 heterojunction bilayer

Authors :
Zi-Si Chen
Wen-Ti Guo
Jiefeng Ye
Kehua Zhong
Jian-Min Zhang
Zhigao Huang
Source :
AIP Advances, Vol 12, Iss 4, Pp 045315-045315-7 (2022)
Publication Year :
2022
Publisher :
AIP Publishing LLC, 2022.

Abstract

Electronic structures of non-twisted and twisted WTe2/WSe2 heterojunction bilayers were investigated using first-principles calculations. Our results show that, for the twisted WTe2/WSe2 heterojunction bilayer, the bandgaps are all direct bandgaps, and the bandgap (K–K) increases significantly when the twist angle is from 0° to 10°. However, when the twist angle is from 11° to 14.2°, the bandgaps are all indirect bandgaps and the bandgap (G–K) significantly reduces. The band structure of the twisted WTe2/WSe2 heterojunction bilayer differs significantly from that of the non-twisted. Twisted WTe2/WSe2 heterojunction bilayers can be seen as a direct bandgap to an indirect bandgap conversion when turned to a certain angle. Interestingly, the bandgap of the WTe2/WSe2 heterojunction bilayer is very sensitive to the change in the twist angle. For example, when the twist angle is 10.5°, a maximum bandgap will appear. However, the minimum bandgap is 0.041 eV at 14.2°. Our findings have important guidance for device tuning of two-dimensional heterojunction materials.

Subjects

Subjects :
Physics
QC1-999

Details

Language :
English
ISSN :
21583226
Volume :
12
Issue :
4
Database :
Directory of Open Access Journals
Journal :
AIP Advances
Publication Type :
Academic Journal
Accession number :
edsdoj.7655219a55834642b306cc77a4799548
Document Type :
article
Full Text :
https://doi.org/10.1063/5.0086024