ZnSxSe1−x thin films: A study into its tunable energy band gap property using an experimental and theoretical approach

Abstract

In recent times, ZnS and ZnSe thin films are drawing tremendous attention towards opto-electrical devices due to their optimal wide band gap energy. By alloying ZnS and ZnSe films to obtain ZnS<inf>x</inf>Se<inf>1−x</inf> thin films, the band gap of the ZnS<inf>x</inf>Se<inf>1−x</inf> film can be tuned to a value according to the device requirements. Herein, ZnS<inf>x</inf>Se<inf>1−x</inf> thin films were deposited on pre-cleaned glass substrates using a thermal evaporation system and the various properties of the obtained thin films were analyzed by altering the percentage of sulfur concentration in the films. The XRD analysis illustrated that the prepared films are polycrystalline in nature and oriented along cubic (1 1 1) plane. The deviation of (1 1 1) preferential peak position with composition ‘x’ along the absence of any secondary peaks confirms the formation of ternary ZnS<inf>x</inf>Se<inf>1−x</inf> thin films. DFT analysis verifies the formation of pristine ZnS<inf>x</inf>Se<inf>1−x</inf> alloy system. FESEM micrographs displayed that the ZnS<inf>x</inf>Se<inf>1−x</inf> thin films do not have any cracks or pinholes. EDAX analysis of the films revealed the existence of Zn, Se and S in an appropriate quantity. Optical analysis revealed the effective band gap tailoring of ZnS<inf>x</inf>Se<inf>1−x</inf> thin films. The band gap of the ZnS<inf>x</inf>Se<inf>1−x</inf> thin films increases from 2.59 eV to 3.38 eV as the composition ‘x’ varied from 0 to 1 and band composition was determined using the DOS plot obtained using VASP. © 2022 International Solar Energy Society