Influence of quantum confinement on the electronic structure of the transition metal sulfide T S 2

By A. Kuc, N. Zibouche, Thomas Heine. 2011

1,432 citations recorded by the source corpus.

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.

Subfields: Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/76dbe07b57d27f134d889b2bc5e88df3cbee7645

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In Materials Chemistry

1. T. Yu
2. G. Eda
3. Qing Zhang
4. R. Ganatra
5. V. Shenoy
6. Suhuai Wei
7. Sanjay Kumar Banerjee
8. A. C. Castro Neto

Citations in the corpus

• Few-layer MoS2: a promising layered semiconductor. (2014, background): “the Γ point, while the conduction band minimum is located almost halfway along the Γ K direction, which constitutes the indirect band gap transition.(50,83,84)”