A first-principle study of optoelectronic, elastic, and thermodynamic properties of cubic perovskite FrQCl3 (Q = Be, Mg)
The material properties of the inorganic metal halide perovskite compound FrQCl3 (Q = Be, Mg) have been investigated using first-principles density functional theory. The optimized structures confirm their stability, and the negative formation enthalpy indicates their chemical resilience. The calcul...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2025-04-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/5.0256106 |
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