Program

I.2 -- Invited, NCTP-42

Date: Tuesday, 1 August 2017

Time: 14h00 - 14h30

Tuning the electronic properties and Schottky barrier in the Graphene/MoS$_2$ van der Waals heterointerface by interlayer coupling

Chuong Van Nguyen (1), Nguyen Ngoc Hieu (2) Nguyen Van Hieu (3), Le Thi Phuong Thao (3), Le Thi Ngoc Tu (4)

(1) Le Quy Don Technical University (2) Duy Tan University (3) The University of Da Nang (4) Dong Thap University

In the present work, the effect of interlayer coupling on structural and electronic properties of graphene/molybdenum disulfide (G/MoS_2) heterointerface is studied using density functional theory calculations. Our calculations show that weak van der Waals interactions between graphene and monolayer MoS2 are dominated at the interlayer distance of 3.34 {\AA} and the binding energy per C atom of −25.1 meV. A narrow band gap of 3.6 meV has opened in G/MoS_2 heterointerface, and it can be modulated by the interlayer distance. Furthermore, the Schottky barrier and Schottky contact types in the G/MoS2 heterointerface can be controlled by the interlayer coupling. At the equilibrium state (d = 3:34 {\AA}), the intrinsic electronic structure of G/MoS_2 heterointerface is well preserved and forms an n-type Schottky barrier of 0.49 eV. When the interlayer coupling decreases, the transition from n-type to p-type Schottky contact is occurred at d = 2:74 {\AA}. Our studies may prove to promote the application of ultrathin G/MoS_2 heterointerface in the next-generation nanoelectronic and photonic devices such as van-der-Waals-based field effect transistor.

Presenter: Nguyen Van Chuong