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Tuning Electronic Structure of Bilayer MoS2 by Vertical Electric Field: A First-Principles Investigation
Abstract
Interest in the two-dimensional MoS 2 material is consistently increasing because of its many potential applications, in particular in the next-generation nanoelectronic devices. By means of density functional theory computations, we systematically examined the effect of vertical electric field on the electronic structure of MoS 2 bilayer. The bandgaps of the bilayer MoS 2 monotonically decrease with an increasing vertical electric field. The critical electric fields, at which the semiconductor-to-metal transition occurs, are predicted to be in the range of 1.0–1.5 V/Å depending on different stacked conformations. Ab initio quantum transport simulations of a dual-gated bilayer MoS 2 channel clearly confirm that the vertical electric field continuously manipulates the transmission gap of bilayer MoS 2 .
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Cites
Special points for Brillouin-zone integrations
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Two-dimensional atomic crystals
Novoselov, K. S., Jiang, D., Schedin, F., Booth, T. J., Khotkevich, V. V., Morozov, S. V., & Geim, A. K. (2005) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.0502848102 · Cited by 11,788
Biased Bilayer Graphene: Semiconductor with a Gap Tunable by the Electric Field Effect
Castro, E. V., Novoselov, K. S., Morozov, S. V., Peres, N. M. R., dos Santos, J. M. B. L., Nilsson, J., Guinea, F., Geim, A. K., & Neto, A. H. C. (2007) · Physical Review Letters · doi:10.1103/physrevlett.99.216802 · Cited by 2,033
Asymmetry gap in the electronic band structure of bilayer graphene
McCann, E. (2006) · Physical Review B · doi:10.1103/physrevb.74.161403 · Cited by 1,275
Cited by
Liu, G.-B., Xiao, D., Yao, Y., Xu, X., & Yao, W. (2015) · Chemical Society Reviews · doi:10.1039/c4cs00301b · Cited by 698
Phosphorene Nanoribbons, Phosphorus Nanotubes, and van der Waals Multilayers
Guo, H., Lu, N., Dai, J., Wu, X., & Zeng, X. C. (2014) · The Journal of Physical Chemistry C · doi:10.1021/jp505257g · Cited by 615
Liu, Q., Zhang, X., Abdalla, L. B., Fazzio, A., & Zunger, A. (2015) · Nano Letters · doi:10.1021/nl5043769 · Cited by 485
Self-citationTransition Metal Chalcogenides: Ultrathin Inorganic Materials with Tunable Electronic Properties
Heine, T. (2015) · Accounts of Chemical Research · doi:10.1021/ar500277z · Cited by 369
Thickness-modulated metal-to-semiconductor transformation in a transition metal dichalcogenide
Ciarrocchi, A., Avsar, A., Ovchinnikov, D., & Kis, A. (2018) · Nature Communications · doi:10.1038/s41467-018-03436-0 · Cited by 334
Modulation of the Electronic Properties of Ultrathin Black Phosphorus by Strain and Electrical Field
Li, Y., Yang, S., & Li, J. (2014) · The Journal of Physical Chemistry C · doi:10.1021/jp506881v · Cited by 300
Self-citationChen, Y., Tian, G., Shi, Y., Xiao, Y., & Fu, H. (2015) · Applied Catalysis B: Environmental · doi:10.1016/j.apcatb.2014.08.036 · Cited by 260
Graphene and MoS2 interacting with water: A comparison by ab initio calculations
Levita, G., Restuccia, P., & Righi, M. C. (2016) · Carbon · doi:10.1016/j.carbon.2016.06.072 · Cited by 147
Metadata
- Authors
- Liu, Q., Li, L., Li, Y., Gao, Z., Chen, Z., & Lu, J.
- Venue
- The Journal of Physical Chemistry C
- Publisher
- American Chemical Society (ACS)
- Published
- 2012-09-28
- Volume
- 116
- Issue
- 40
- Pages
- 21556-21562
- ISSN
- 1932-7447 (ISSN-L)
- 1932-7455
- OpenAlex
- W2312490303
- Cited by
- 342
- References
- 4
- FWCI
- 11.15
- Type
- journal article
- Language
- en
- Open access
- closed
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