Ab initio study on electronic and optical properties of Cu2NiGeS4 for photovoltaic applications

El Hamdaoui, J.; El-Yadri, M.; Lakaal, K.; Kria, M.; Courel, M.; Ojeda, M.; Perez, L. M.; Laroze, D.; Feddi, E.

Abstract

In this paper, first principle calculations of Cu2NiGeS4 (CNGS) are carried out to explore the structural, electronic and optical properties of kesterite compound. Both mBJ+U and HSE potentials are used to calculate the band gap energy. The first approach gives a value of 1.78 eV and the second one a value of 1.76 eV. Our numerical simulation shows that the CNGS exhibits a remarkable high absorption coefficient of the order of 104 cm-1, leading to a promising absorber material for photovoltaic devices. Additional optical properties such as refraction index and dielectric function are also calculated in this work. Furthermore, CNGS-based solar cell simulation was performed through SCAPS software. The calculated values of short-circuit current density J open-circuit voltage V, Fill factor FF and power conversion efficiency show that CNGS can be a potential candidate for solar cell application

Más información

Título según WOS: Ab initio study on electronic and optical properties of Cu2NiGeS4 for photovoltaic applications
Título de la Revista: SOLAR ENERGY
Volumen: 237
Editorial: PERGAMON-ELSEVIER SCIENCE LTD
Fecha de publicación: 2022
Página de inicio: 333
Página final: 339
DOI:

10.1016/j.solener.2022.03.052

Notas: ISI