期刊
PHYSICAL REVIEW B
卷 88, 期 7, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.88.075409
关键词
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资金
- MINECO, Spain [FIS2011-23713]
- European Union [290846]
- Juan de la Cierva Program (MINECO, Spain)
- European FP7 Marie Curie Project [PIEF-GA-2009-251904]
- Spanish MINECO [FIS2009-12721-C04-01, FIS2012-37549-C05-02, CSD2007-00050]
- MINECO
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.
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