Open AccessTheoretical Prediction of the Structural and Electronic Properties of a Single Layer Graphene-like Two-dimensional Janus GaInSTe
Author(s) -
Nguyen Van Chuong,
Nguyen N. Hieu,
Nguyễn Văn Hiếu
Publication year - 2021
Publication title -
tạp chí khoa học đại học quốc gia hà nội: toán - lý (vnu journal of science: mathematics - physics)
Language(s) - English
Resource type - Journals
eISSN - 2615-9341
pISSN - 2588-1124
DOI - 10.25073/2588-1124/vnumap.4408
Subject(s) - janus , monolayer , semiconductor , band gap , materials science , condensed matter physics , electric field , graphene , direct and indirect band gaps , phonon , nanotechnology , optoelectronics , physics , quantum mechanics
This paper constructs a new type of two-dimensional graphene-like Janus GaInSTe monolayer and systematically investigates its structural and electronic properties as well as the effect of external electric field using first-principles calculations. In the ground state, Janus GaInSTe monolayer is dynamically stable with no imaginary frequencies in its phonon spectrum and possesses a direct band gap semiconductor. The band gap of Janus GaInSTe monolayer can be tuned by applying an electric field, which leads the different transitions from semiconductor to metal, and from indirect to direct band gap. These findings show a great potential application of Janus GaInSTe material for designing next-generation devices.