Structural And Electronic Properties of PtSe2/GaP Heterostructure. (2022)

• Record Type: Journal Article
• Authors: Parmar, P.R.; Khengar, S.J.; Thakor, P.B.
• Is Part Of: Materials today. Volume 67:Part 1(2022)
• Page Start: 161
• Page End: 164
• Publication Date: 2022
• Subjects: Heterostructure -- Density functional theory -- Electronic properties -- Optical properties -- 2D material; Materials science -- Congresses -- Periodicals; 620.1
• DOI: 10.1016/j.matpr.2022.06.011
• Languages: English
• ISSNs: 2214-7853

Abstract

Abstract: In this study, by employing the first principle calculations we have theoretically investigated the structural, electronic and optical properties of a two dimensional (2D) PtSe2 /GaP heterostructure. The optimized PtSe2 /GaP heterostructure has a hexagonal structure with a lattice constant of 3.83 Å. The band structure of PtSe2 /GaP heterostructure was obtained by applying the generalized gradient approximation (GGA) which shows the semiconducting nature. The investigation of optical properties suggests that the heterostructure PtSe2 /GaP shows absorption in the visible and ultraviolet region of the electromagnetic spectrum. It can be seen that PtSe2 /GaP heterostructure can be utilized in nanoelectronics and optoelectronic devices and its applications.