Programme

P.32 -- Poster, VCTP-44

Date: Tuesday, 30 July 2019

Time: 08:30 - 10:00

Structural and electronic properties of silicene/gallium selenide van der Waals heterostructure: A first principles study

Nguyen Van Hieu (1), Vo T.T. Vi (2) and Nguyen Ngoc Hieu (3)

(1) Department of Physics, University of Education, The University of Da Nang, Da Nang, Viet Nam (2) Department of Physics, University of Education, Hue University, Hue, Viet Nam (3) Institute of Research and Development, Duy Tan University, Viet Nam

Possibilities of different stacking configurations of silicene/gallium selenide (Si/GaSe) van der Waals heterostructure have been proposed and studied by density functional theory. We find that the Si/GaSe heterostructure in all the stacking configurations shows semiconducting behavior with a band gap of about 100 meV and we can control its band gap by strain or external electric field. This gap is much larger than that of graphene/GaSe but is much smaller than MoS2/GaSe case. In the present work, we focus on the influence of biaxial strain and external electric field on the electronic properties of the most energetically stable configuration of the Si/GaSe heterostructure. Our calculated results indicated that the Si/GaSe heterostructure forms an n-type Schottky contact with a small Schottky barrier height of 0.23 eV and transformation between contacts may occur when strain or an electric field is applied.

Presenter: Nguyen Ngoc Hieu