Analysis of Na2CuP ternary semiconductor compound for optoelectronic application by first-principles methods using GGA and mGGA functionals
Publication Type
Journal Article
Publication Date (Issue Year)
2024
Journal Name
Computational Condensed Matter
Abstract
Abstract
Keywords
Na2CuP ternary, semiconductor compound, optoelectronic application, first-principles methods, GGA, mGGA functionals
Rsif Scholar Name
Mwende Mbilo
Thematic Area
Energy including Renewables
Africa Host University (AHU)
University of Nairobi (UoN), Kenya
Funding Statement
The authors acknowledge RSIF grant number RSIF_RA_015 for support, the International Science Programme for Computational Seed Grant through the KEN02 grant, and the Centre for High-Performance Computing CHPC-RSA for computing resources. MM acknowledge the Partnership for Skills in Applied Sciences, Engineering and Technology (PASET) - Regional Scholarship Innovation Fund (RSIF) for the Funding opportunity, and the L’Oréal-UNESCO For Women in Science Sub-Saharan Africa Young Talents Programme
Recommended Citation
Musembi, R., Mbilo, M., Nyamunga, M., & Kachila, J. (2024). Analysis of Na2CuP ternary semiconductor compound for optoelectronic application by first-principles methods using GGA and mGGA functionals. Computational Condensed Matter, 40, e00927. https://doi.org/10.1016/j.cocom.2024.e00927