Electronic and Optical Properties of Novel Graphene‐Like InTe Monolayer: First Principle Calculations
Yujie Liao, Huating Liu, Guanghui Yuan, Zongyu Huang, Xiang Qi
Abstract
Abstract Inspired by the research on exotic two‐dimensional (2D) carbon nanomaterials, that is, graphene, monolayer group‐IIIA chalcogenide compounds have broad application prospects in the field of material science and device physics. The structure characteristics and electronic and optical properties of the graphene‐like InTe monolayer are calculated and discussed in this work. It is found that the two sides of InTe monolayer are the same elements with the same electronegativity, and its charge distribution is very uniform. The band structure indicates that the InTe monolayer exhibits an indirect‐band gap of 1.286 eV. It is also noted that the absorption of InTe monolayer extends from the ultraviolet region to the visible region, reflecting its ability to capture light in a wide spectrum. Additionally, the absorption coefficient of InTe monolayer in the ultraviolet is up to 10 −5 cm –1 , which indicates that InTe has certain advantages in the application of ultraviolet detectors and photovoltaic absorption devices. Therefore, the present work provides a theoretical foundation for the design of electronic and optoelectronic device based on InTe, and further provides a favorable guidance for the practical application of these materials.