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Structural, electronic, mechanical, and optical properties of the lead-free halide perovskites XGeCl<sub>3</sub>(X = Cs, K, and Rb) for the photovoltaic and optoelectronic applications

Azeem, Waqar et al.
UM Research Repository · Papers
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dftengineeringmechanical-propertiesoptoelectronicsphysical-sciences-and-mathematics
The present investigations into the chloroperovskites CsGeCl3, KGeCl3, and RbGeCl3 are conducted by using the density functional theory-based CASTEP tool with the GGA-PBE method. The space group Pm-3m (221) is used. The computed values of lattice parameters are CsGeCl3: 5.34 & Aring;, KGeCl3: 5.26 &
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