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Cited by 431

The DOI matches its Crossref record; 100 of the 100 references it cites were found in a registry or an index.

Tight-binding model and direct-gap/indirect-gap transition in single-layer and multilayer MoS2

Open access
Cappelluti, E., Roldán, R., Silva-Guillén, J. A., Ordejón, P., Guinea, F.·2013·Physical Review B
DOI 10.1103/physrevb.88.075409
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Abstract

In this paper we present a paradigmatic tight-binding model for single-layer as well as multilayered semiconducting MoS${}_{2}$ 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.

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Metadata

Authors
Cappelluti, E., Roldán, R., Silva-Guillén, J. A., Ordejón, P., & Guinea, F.
Venue
Physical Review B
Publisher
American Physical Society (APS)
Published
2013-08-08
Volume
88
Issue
7
ISSN
  • 1098-0121 (ISSN-L)
  • 1550-235X
DOI
10.1103/physrevb.88.075409
OpenAlex
W2021929784
Cited by
431
References
100
FWCI
18.06
Type
journal article
Language
en
Open access
bronze

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