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Probing the physical properties for prospective high energy applications of QMnF(3) (Q = Ga, In) halide perovskites compounds employing the framework of density functional theory
We use WIEN2K to conduct density functional theory computations to explore the structural, thermodynamic, optoelectronic, and mechanical properties of fluoroperovskites QMnF(3) (Q = Ga, In). The application of the Birch–Murnaghan equation to the energy versus volume, formation energy, and tolerance...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10281494/ https://www.ncbi.nlm.nih.gov/pubmed/37346958 http://dx.doi.org/10.1039/d3ra02878j |