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Phonons in single-layer and few-layer MoS2and WS2
Open accessAbstract
We report ab initio calculations of the phonon dispersion relations of the single-layer and bulk dichalcogenides MoS${}_{2}$ and WS${}_{2}$. We explore in detail the behavior of the Raman-active modes ${A}_{1g}$ and ${E}_{2g}^{1}$ as a function of the number of layers. In agreement with recent Raman spectroscopy measurements [C. Lee et al., ACS Nano 4, 2695 (2010)], we find that the ${A}_{1g}$ mode increases in frequency with an increasing number of layers while the ${E}_{2g}^{1}$ mode decreases. We explain this decrease by an enhancement of the dielectric screening of the long-range Coulomb interaction between the effective charges with a growing number of layers. This decrease in the long-range part overcompensates for the increase of the short-range interaction due to the weak interlayer interaction.
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Two-dimensional atomic crystals
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Cited by
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
(2012) · doi:10.1103/physrevb.85.033305 · Cited by 1,307
Second harmonic microscopy of monolayer MoS2
Kumar, N., Najmaei, S., Cui, Q., Ceballos, F., Ajayan, P. M., Lou, J., & Zhao, H. (2013) · Physical Review B · doi:10.1103/physrevb.87.161403 · Cited by 699
Intrinsic electrical transport properties of monolayer silicene and MoS2from first principles
Li, X., Mullen, J. T., Jin, Z., Borysenko, K. M., Buongiorno Nardelli, M., & Kim, K. W. (2013) · Physical Review B · doi:10.1103/physrevb.87.115418 · Cited by 462
Metadata
- Authors
- Molina-Sánchez, A., & Wirtz, L.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2011-10-11
- Volume
- 84
- Issue
- 15
- ISSN
- 1098-0121 (ISSN-L)
- 1550-235X
- OpenAlex
- W1528619378
- Cited by
- 1,443
- References
- 5
- FWCI
- 28.51
- Type
- journal article
- Language
- en
- Open access
- bronze
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