Browsing Center of Excellence for Geopolymer and Green Technology (CEGEOGTECH) (Articles) by Subject "DFT band structure calculations"
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Structural, electronic and optical properties in earth-abundant photovoltaic absorber of Cu₂ZnSnS₄ and Cu₂ZnSnSe₄ from DFT calculations
(ESG, 2014)DFT analyses of band structure dispersion and of contribution of different anionic sub-groups to the studied electronic structure together with the anisotropy of optical functions were performed for the two promising solar ...