Calculations of the mechanical, optoelectronic, and magnetic properties of FrGeX3 (X = Cl, Br, I) under hydrostatic pressures based on first-principles theories
Using first-principles calculations based on density functional theory, this work investigated the mechanical, magnetic, elastic, electrical, and optical characteristics of the halide-based perovskite FrGeX3 (X = Cl, Br, I) at different hydrostatic pressures ranging from 0 to 9 GPa. It was determine...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2024-03-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/5.0201448 |