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Effect on Schottky Barrier of Graphene/WS 2 Heterostructure With Vertical Electric Field and Biaxial Strain
Author(s) -
Zheng Jiangshan,
Li Enling,
Ma Deming,
Cui Zhen,
Peng Tuo,
Wang Xiaolin
Publication year - 2019
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201900161
Subject(s) - heterojunction , schottky barrier , materials science , graphene , condensed matter physics , band gap , schottky diode , electric field , optoelectronics , nanotechnology , physics , diode , quantum mechanics
Graphene has been widely used in many applications, such as sensors, field‐effect transistors, and integrated circuits due to its high strength and excellent electrical and thermal conductivity. Its lack of a band gap, however, means that applications in some fields are limited. In this paper, using first principles calculations based on the density functional theory method, the electronic properties of graphene/WS 2 heterostructures under electric field and in‐plane biaxial strain are investigated. It is found that the two materials are subject to weak van der Waals forces after stacking. The band gap of WS 2 in the graphene/WS 2 heterostructure is reduced by 0.57 eV compared to the intrinsic WS 2 band gap. An n ‐type Schottky contact with a barrier height of 0.22 eV is formed. In addition, an n ‐type to p ‐type Schottky contact transition can be achieved by increasing the applied vertical electric field on the graphene/WS 2 heterostructure. The variation of the barrier heights ϕ B n and ϕ B p of the graphene/WS 2 heterojunction with strain is sensitive. However, plane strain can only change the height of the Schottky barrier; the Schottky contact cannot change from n ‐type to p ‐type with in‐plane biaxial strain. The results suggest that there is a potential application of graphene/WS 2 heterostructures in Schottky devices.