Strain dependent structural and electronic properties of two-dimensional janus In2SeTe monolayer

In the present work, the structural and electronic properties of Indium base two dimensional Janus In2SeTe monolayer have been studied by using first principle calculations based on density functional theory. The optimisation of the Janus monolayer system is done by applying a vacuum in the z-direction. The optimised lattice constant is around 4.23 A. The janus monolayer shows honeycomb lattice structure from the top side view. The band structure of In2SeTe janus monolayer is calculated by using generalized gradient approximation (GGA). We have calculated the total density of state (TDOS) and projected density of state (PDOS) for the janus monolayer. The bi-axial strain is applied and its effects are studied. From the study, it is found that In2SeTe has a potential application in electronics and optoelectronic.Copyright (c) 2022 Elsevier Ltd. All rights reserved. Selection and peer-review under responsibility of the scientific committee of the Recent Advancements in Materials Science and Nanotechnology.