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A DFT study of structural, electronic, optical, thermal and mechanical properties of cubic perovskite KGeX3 (X = Cl, Br) compound for solar cell applications
This study examined the structural, electronic, optical, mechanical, and thermal properties of K-based halide perovskites KGeX3 (X = Cl, Br). All the calculations have been carried out using the DFT-based CASTEP simulation package with an ultra-soft pseudo-potential plane wave and PBE-GGA technique.
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