How does quantum confinement influence the electronic structure of transition metal sulfides TmS2

Details How does quantum confinement influence the electronic structure of transition metal sulfides TmS2 How does quantum confinement influence the electronic structure of transition metal sulfides TmS2

2011-04-19

arxiv.org/abs/1104.3670v1

Physics

Condensed Matter

Materials Science

submitted to PRB on 22nd February 2011, still under revision!

Scientific paper

Bulk MoS2, a prototypical layered transition-metal dichalcogenide, is an indirect band gap semiconductor. Reducing its size to a monolayer, MoS2 undergoes a transition to the direct band semiconductor. We support this experimental observation by first principles calculations and show that quantum confinement in layered d-electron dichalcogenides results in tuning the electronic structure at the nanoscale. We further studied the properties of related TmS2 nanolayers (Tm = W, Nb, Re) and show that the isotopological WS2 exhibits similar electronic properties, while NbS2 and ReS2 remain metallic independent on size.

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