Eur. Phys. J. D (2022) 76: 15
https://doi.org/10.1140/epjd/s10053-022-00341-6

Regular Article – Optical Phenomena and Photonics

Enhancing the optical absorption of Ga₂SeTe Janus monolayer by adsorption of transition metals

National Institute of Technology, 136119, Kurukshetra, India

^a singh.sapna1992@gmail.com

Received: 15 September 2021
Accepted: 6 January 2022
Published online: 1 February 2022

Abstract

Optical and electronic properties of transition metal adsorbed Ga₂SeTe Janus monolayer have been investigated in detail using DFT simulations. Results suggests that the pristine Janus monolayer of Ga₂SeTe shows high absorption (− 15 × 10⁴ 1/cm) in few portions of the spectrum (− 380–430 nm). Metal adsorbed structures Ga₂SeTe/Ni, Ga₂SeTe/Pd, Ga₂SeTe/Pt and Ga₂SeTe/V results into redshift phenomena, which means that the absorption increases with the wavelength, or we can say that the absorption coefficient moved toward the red range of the spectrum. Absorption coefficient of Ni adsorbed structure is four times higher (− 60 × 10⁴ 1/cm) than the pristine Janus monolayer of Ga₂SeTe. Considerably, higher absorption is also seen in other structures in the entire visible range (− 380–790 nm) of the spectrum. Dielectric function and refractive index of all metal adsorbed structures also calculated, and it is found that the absorption coefficient is in line with the dielectric constant. Due to its higher absorption peaks in the whole visible region, it is a potential candidate for optoelectronic applications and photovoltaic absorbers.