Influence of quantum confinement on the electronic structure of the transition metal sulfide TS2

A. Kuc, N. Zibouche, T. Heine

Research output: Contribution to journalArticle

1044 Citations (Scopus)

Abstract

Bulk MoS2, a prototypical layered transition-metal dichalcogenide, is an indirect band gap semiconductor. Reducing its slab thickness to a monolayer, MoS2 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 TS2 nanolayers (T= W, Nb, Re) and show that the isotopological WS2 exhibits similar electronic properties, while NbS2 and ReS2 remain metallic independent of the slab thickness.

Original languageEnglish
Article number245213
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume83
Issue number24
DOIs
Publication statusPublished - 2011 Jun 30

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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