Tunable electronic properties and Schottky barrier in a graphene/WSe 2 heterostructure under out-of-plane strain and an electric field

• Published in: Physical chemistry chemical physics : PCCP Vol. 22; no. 41; pp. 23699 - 23706
• Main Authors: Zhang, Rui, Hao, Guoqiang, Ye, Xiaojun, Gao, Shangpeng, Li, Hongbo
• Format: Journal Article
• Language: English
• Published: 28.10.2020
• ISSN: 1463-9076; 1463-9084
• DOI: 10.1039/D0CP04160B

Tuning the electrical transport behavior and reducing the Schottky barrier height of nanoelectronic devices remain a great challenge. To solve this issue, the electronic properties and Schottky barrier of the graphene/WSe 2 heterostructure are investigated by the first-principles method under out-of-plane strain and an electric field. Our results show that the WSe 2 monolayer and graphene could form a stable van der Waals heterostructure and the intrinsic electronic properties are well preserved. Furthermore, a transformation of a Schottky contact from the n-type to p-type occurs at d = 3.87 Å and E = +0.06 V Å −1 . In addition, an ohmic contact is formed with E = −0.50, ±0.60 V Å −1 . Lastly, the effective masses of electrons and holes are calculated to be 0.057 m 0 and −0.055 m 0 at the equilibrium state, respectively, indicating that the heterostructure has a high carrier mobility. Our research will provide promising approaches for the future design and development of graphene/WSe 2 nano-field effect transistors.