Band structure and giant Stark effect in two-dimensional transition-metal dichalcogenides

Javaid, M, Russo, S, Kalantar Zadeh, K, Greentree, A and Drumm, D 2018, 'Band structure and giant Stark effect in two-dimensional transition-metal dichalcogenides', Electronic Structure, vol. 1, pp. 1-20.


Document type: Journal Article
Collection: Journal Articles

Title Band structure and giant Stark effect in two-dimensional transition-metal dichalcogenides
Author(s) Javaid, M
Russo, S
Kalantar Zadeh, K
Greentree, A
Drumm, D
Year 2018
Journal name Electronic Structure
Volume number 1
Start page 1
End page 20
Total pages 20
Publisher Institute of Physics Publishing Ltd.
Abstract We present a comprehensive study of the electronic structures of 192 configurations of 39 stable, layered, transition-metal dichalcogenides using density-functional theory. We show detailed investigations of their monolayer, bilayer, and trilayer structures' valence-band maxima, conduction-band minima, and band gap responses to transverse electric fields. We also report the critical fields where semiconductor-to-metal phase transitions occur. Our results show that band gap engineering by applying electric fields can be an effective strategy to modulate the electronic properties of transition-metal dichalcogenides for next-generation device applications.
Subject Condensed Matter Modelling and Density Functional Theory
Keyword(s) transition metal dichalcogenides
two-dimensional materials
density functional theory
band structure
electric field
giant-Stark effect
Copyright notice © 2018 IOP Publishing Ltd
ISSN 2516-1075
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