Indirect-direct band gap transition through electric tuning in bilayer MoS{sub 2}
- Key laboratory for Magnetism and Magnetic Materials of the Ministry of Education, School of Physical Science and Technology, Lanzhou University, Lanzhou 730 000 (China)
- Graphene Research Institute, Sejong University, Seoul 143 747 (Korea, Republic of)
- Department of Physics, Xiangtan University, Hunan 411 105 (China)
We investigate the electronic properties of bilayer MoS{sub 2} exposed to an external electric field by using first-principles calculations. It is found that a larger interlayer distance, referring to that by standard density functional theory (DFT) with respect to that by DFT with empirical dispersion corrections, makes indirect-direct band gap transition possible by electric control. We show that external electric field effectively manipulates the valence band contrast between the K- and Γ-valleys by forming built-in electric dipole fields, which realizes an indirect-direct transition before a semiconductor-metal transition happens. Our results provide a novel efficient access to tune the electronic properties of two-dimensional layered materials.
- OSTI ID:
- 22252941
- Journal Information:
- Journal of Chemical Physics, Vol. 140, Issue 17; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
Similar Records
Direct Measurement of the Tunable Electronic Structure of Bilayer MoS 2 by Interlayer Twist
Possible electric field induced indirect to direct band gap transition in MoSe2