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