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...

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Detalles Bibliográficos
Autores principales: Tahir, Fareesa Tasneem, Husain, Mudasser, Sfina, Nourreddine, Rached, Ahmed Azzouz, Khan, Majid, Rahman, Nasir
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Chemistry
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10281494/
https://www.ncbi.nlm.nih.gov/pubmed/37346958
http://dx.doi.org/10.1039/d3ra02878j

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