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Influence of quantum confinement on the electronic structure of the transition metal sulfideTS2
Open accessAbstract
Bulk MoS${}_{2}$, a prototypical layered transition-metal dichalcogenide, is an indirect band gap semiconductor. Reducing its slab thickness to a monolayer, MoS${}_{2}$ undergoes a transition to the direct band semiconductor. We support this experimental observation by first-principle calculations and show that quantum confinement in layered $d$-electron dichalcogenides results in tuning the electronic structure. We further studied the properties of related $T$S${}_{2}$ nanolayers ($T=$ W, Nb, Re) and show that the isotopological WS${}_{2}$ exhibits similar electronic properties, while NbS${}_{2}$ and ReS${}_{2}$ remain metallic independent of the slab thickness.
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Generalized Gradient Approximation Made Simple
Perdew, J. P., Burke, K., & Ernzerhof, M. (1996) · Physical Review Letters · doi:10.1103/physrevlett.77.3865 · Cited by 215,824
Special points for Brillouin-zone integrations
Monkhorst, H. J., & Pack, J. D. (1976) · Physical Review B · doi:10.1103/physrevb.13.5188 · Cited by 71,721
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
The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets
Chhowalla, M., Shin, H. S., Eda, G., Li, L.-J., Loh, K. P., & Zhang, H. (2013) · Nature Chemistry · doi:10.1038/nchem.1589 · Cited by 10,034
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
Synthesis of MoS 2 and MoSe 2 Films with Vertically Aligned Layers
Kong, D., Wang, H., Cha, J. J., Pasta, M., Koski, K. J., Yao, J., & Cui, Y. (2013) · Nano Letters · doi:10.1021/nl400258t · Cited by 2,250
(2012) · doi:10.1103/physrevb.85.033305 · Cited by 1,307
Metadata
- Authors
- Kuc, A., Zibouche, N., & Heine, T.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2011-06-30
- Volume
- 83
- Issue
- 24
- ISSN
- 1098-0121 (ISSN-L)
- 1550-235X
- OpenAlex
- W2108086987
- Cited by
- 1,753
- References
- 2
- FWCI
- 36.25
- Type
- journal article
- Language
- en
- Open access
- green
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- Kuc, A., Zibouche, N., & Heine, T. (2011). Influence of quantum confinement on the electronic structure of the transition metal sulfideTS2. Physical Review B. https://doi.org/10.1103/physrevb.83.245213
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