ELECTRONIC AND OPTICAL PROPERTIES MODULATION OF LaCuOSe BY STRAIN

Abstract

Due to promising properties of wide band gap semiconductor, they are used in optoelectronic applications. LaCuOSe is a wide bandgap semiconductor with band gap of 2.8ev and shows extraordinary optoelectronic properties, high hole mobility and stable excitons. To study the effect of strain on the electronic and optical properties of LaCuOSe these properties were calculated under axial strain by using full potential linearized augmented plane-wave (FP-LAPW) method based on density functional theory (DFT) within GGA functional. The computed structural lattice parameters are in good agreement with the previous simulated and experimental results. The energy band structures, density of states, and optical properties are calculated and analyzed with and without strain. The results show that, by increasing the tensile strain, the band gap of LaCuOSe increase as compared to unstrained LaCuOse and decreases with increasing the compressive strain. The biaxial strain effects the absorption of LaCuOSe and shows blue and red shift. This study shows that band gap and optical properties can tune with biaxial strain.