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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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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
- 22
- FWCI
- 36.25
- Type
- journal article
- Language
- en
- Open access
- green
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