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Quasiparticle band structure calculation of monolayer, bilayer, and bulk MoS2
Abstract
Quasiparticle self-consistent $GW$ calculations of the band structures and related effective-mass parameters are carried out for bulk, monolayer, and bilayer MoS${}_{2}$. Including excitonic effects within the Mott-Wannier theory, quantitative agreement is obtained between the $A$, $B$ excitons, measured by absorption [Phys. Rev. Lett. 105, 136805 (2010)], and the calculated exciton gap energies at $K$. The $A$-$B$ splitting arises from the valence-band splitting which in the monolayer is entirely due to spin-orbit coupling and leads to spin-split states, while in the bilayer it is a combined effect of interlayer and spin-orbit coupling.
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Cites
Self-Consistent Equations Including Exchange and Correlation Effects
Kohn, W., & Sham, L. J. (1965) · Physical Review · doi:10.1103/physrev.140.a1133 · Cited by 64,135
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
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Electronics and optoelectronics of two-dimensional transition metal dichalcogenides
Wang, Q. H., Kalantar-Zadeh, K., Kis, A., Coleman, J. N., & Strano, M. S. (2012) · Nature Nanotechnology · doi:10.1038/nnano.2012.193 · Cited by 16,374
Progress, Challenges, and Opportunities in Two-Dimensional Materials Beyond Graphene
Butler, S. Z., Hollen, S. M., Cao, L., Cui, Y., Gupta, J. A., Gutiérrez, H. R., Heinz, T. F., Hong, S. S., Huang, J., Ismach, A. F., et al. (2013) · ACS Nano · doi:10.1021/nn400280c · Cited by 4,878
Photonics and optoelectronics of 2D semiconductor transition metal dichalcogenides
Mak, K. F., & Shan, J. (2016) · Nature Photonics · doi:10.1038/nphoton.2015.282 · Cited by 3,819
Spin and pseudospins in layered transition metal dichalcogenides
Xu, X., Yao, W., Xiao, D., & Heinz, T. F. (2014) · Nature Physics · doi:10.1038/nphys2942 · Cited by 2,855
Emerging Device Applications for Semiconducting Two-Dimensional Transition Metal Dichalcogenides
Jariwala, D., Sangwan, V. K., Lauhon, L. J., Marks, T. J., & Hersam, M. C. (2014) · ACS Nano · doi:10.1021/nn500064s · Cited by 2,753
Metadata
- Authors
- Cheiwchanchamnangij, T., & Lambrecht, W. R. L.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2012-05-02
- Volume
- 85
- Issue
- 20
- ISSN
- 1098-0121 (ISSN-L)
- 1550-235X
- OpenAlex
- W2314274457
- Cited by
- 1,351
- References
- 2
- FWCI
- 49.23
- Type
- journal article
- Language
- en
- Open access
- closed
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- Cheiwchanchamnangij, T., & Lambrecht, W. R. L. (2012). Quasiparticle band structure calculation of monolayer, bilayer, and bulk MoS2. Physical Review B. https://doi.org/10.1103/physrevb.85.205302
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