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Structural, Electronic and Optical Properties in Earth-Abundant Photovoltaic Absorber of Cu2ZnSnS4 and Cu2ZnSnSe4 from DFT calculations

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Figure

Figure 1. Second coordination surrounding of chalcogen atoms and inter-atomic distances within the anionic group of Cu2ZnSnS(Se)4 system
Figure 2. Calculated band structure using mBJ.
Figure 3. Calculated total and partial densities of states (States/eV unit cell) using LDA, GGA, EVGGA and mBJ
Figure 4. Electronic Charge density
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