Tight-binding model and direct-gap/indirect-gap transition in single-layer and multilayer MoS2 (Articolo in rivista)

Type
Label
  • Tight-binding model and direct-gap/indirect-gap transition in single-layer and multilayer MoS2 (Articolo in rivista) (literal)
Anno
  • 2013-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1103/PhysRevB.88.075409 (literal)
Alternative label
  • E. Cappelluti (1,2); R. Roldán (1); J.A. Silva-Guillén (3); P. Ordejón (3); F. Guinea (1) (2013)
    Tight-binding model and direct-gap/indirect-gap transition in single-layer and multilayer MoS2
    in Physical review. B, Condensed matter and materials physics
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • E. Cappelluti (1,2); R. Roldán (1); J.A. Silva-Guillén (3); P. Ordejón (3); F. Guinea (1) (literal)
Pagina inizio
  • 075409 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#url
  • http://prb.aps.org/abstract/PRB/v88/i7/e075409 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 88 (literal)
Rivista
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  • 18 (literal)
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  • 7 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • (1) Instituto de Ciencia de Materiales de Madrid, CSIC, c/ Sor Juana Ines de la Cruz 3, 28049 Cantoblanco, Madrid, Spain (2) Istituto dei Sistemi Complessi, U.O.S. Sapienza, CNR, v. dei Taurini 19, 00185 Roma, Italy (3) Centre d'Investigació en Nanociència i Nanotecnologia-CIN2 (CSIC-ICN), Campus UAB, Bellaterra, Spain (literal)
Titolo
  • Tight-binding model and direct-gap/indirect-gap transition in single-layer and multilayer MoS2 (literal)
Abstract
  • In this paper we present a paradigmatic tight-binding model for single-layer as well as multilayered semiconducting MoS2 and similar transition metal dichalcogenides. We show that the electronic properties of multilayer systems can be reproduced in terms of a tight-binding modeling of the single-layer hopping terms by simply adding the proper interlayer hoppings ruled by the chalcogenide atoms. We show that such a tight-binding model makes it possible to understand and control in a natural way the transition between a direct-gap band structure, in single-layer systems, and an indirect gap in multilayer compounds in terms of a momentum/orbital selective interlayer splitting of the relevant valence and conduction bands. The model represents also a suitable playground to investigate in an analytical way strain and finite-size effects. (literal)
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