Open AccessBand Gap Engineering of Twisted Bilayer MoS2 Sheets
Author(s) -
Yu Zhang,
Wenjing Xu,
Guangjie Liu,
Jinlong Zhu
Publication year - 2020
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1676/1/012164
Subject(s) - bilayer , band gap , materials science , rotation (mathematics) , condensed matter physics , electronic band structure , density functional theory , electronic band , modulation (music) , optoelectronics , physics , computational chemistry , geometry , membrane , chemistry , biochemistry , mathematics , acoustics
Density functional theory (DFT) calculations were performed to predict the modulation of band gap by twisting bilayer MoS2 sheets with different rotation angles. The electronic band structure results show that the rotations can make bilayer MoS2 sheets change from semiconducting to metallic. The band gap decreases from 1.24eV to 0.06eV. These results would open up possibilities for its applications in nanoelectronic devices simply by tuning band gaps of MoS2 with rotation angles.