Abstract
Using first principles calculations based on density functional theory (DFT), the electronic properties of SnO2 bulk and thin films are studied. The electronic band structures and total energy over a range of SnO2-multilayer have been studied using DFT within the local density approximation (LDA). We show that changing the interatomic distances and relative positions of atoms could modify the band-gap energy of SnO2 semiconductors. Electronic-structure calculations show that band-gap engineering is a powerful technique for the design of new promising candidates with a direct band-gap. Our results present an important advancement toward controlling the band structure and optoelectronic properties of few-layer SnO2 via strain engineering, with important implications for practical device applications.
•Band Gap Engineering of SnO2 thin film by Strain: a theoretical study.•The tuning structure and band gap of SnO2 thin film were investigated.•Theoretically The band-gap engineering is a powerful technique for the design of new semiconductor.