The Optoelectronic Property Analysis of P doped SrGeN2: A First Principle Calculation for Solar Cell Compound

Abstract

Abstract The first principle investigation of P doped SrGeN2 - a wideband semiconductor is undertaken to prove the beneficial usage of the compound in a particular optoelectronic application field. Wideband semiconductor is the semiconductor compound that contains a larger energy gap difference in comparison to the traditional semiconductors. But to utilize the compound in the form of a particular application like solar cell, bandgap engineering for the compound is followed to reduce the bandgap as per required value range. For this purpose, doping feature is introduced in the bandgap engineering procedure and can be done at a particular site to gain the desired energy gap. Thus the investigation of the properties to learn about the optical, electronic and structural features of the P doped SrGeN2 compound is done using the Tran Blaha modified Becke Johnson (TB-mBJ) exchange correlation. The exchange correlation is rooted in the framework of DFT based on the first principle-linear augmented plane wave methodology. This paper deals with varied property analysis schemes like structural, optical and electronic behaviour deployed in DFT framework stating the value of absorption curve and dielectric tensor which is analysed for the optical property study with integrated absorption curve value being 33.681 and static dielectric tensor value ε (ω) being 4.28 in case of P doped SrGeN2 gained through mBJ potential.