Pravesh Singh

Ab initio studies of structural, electronic, optical, elastic and thermal properties of CuGaTe2

We have performed ab initio calculations for the structural, electronic, optical, elastic and thermal properties of CuGaTe2. In this study, we used an accurate full potential linearized augmented plane wave (FP-LAPW) method to find the equilibrium structural parameters and to compute the full elastic tensors. We report electronic and optical properties with the recently developed density functional of Tran and Blaha. Furthermore, optical features such as dielectric functions, refractive indices, extinction coefficient, optical reflectivity, absorption coefficients, optical conductivities, were calculated for photon energies up to 30 eV. The thermodynamical properties such as Debye temperature, entropy and Gruneisen parameter, bulk modulus and hardness were calculated employing the quasi-harmonic Debye model at different temperatures (0–1000 K) and pressures (0–8 GPa) and the silent results were interpreted. Most of the investigated parameters are reported for the first time.

Modeling and analysis of CuGaS2 thin-film solar cell

The authors have performed, the modeling of thin film CuGaS2 based solar cell with ZnTe buffer layer. The efficiency of the cell, short circuit current density and fill factor are calculated. In addition the effect of thickness of absorption layer over performance parameters of the cell is studied and it is found that maximum efficiency of the cell is achieved for 2000 nm thick absorption layer.