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
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....
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| Main Authors: | , , , , |
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| Format: | Article |
| Published: |
Elsevier
2024
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| Subjects: | |
| Online Access: | http://eprints.um.edu.my/45165/ https://doi.org/10.1016/j.cjph.2023.12.041 |
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