Theoretical Investigations into the Different Properties of Al-Based Fluoroperovskite AlMF(3) (M = Cr, B) Compounds by the TB-MBJ Potential Method

Al-based fluoroperovskites compounds AlMF(3) (M = Cr, B) are investigated computationally and calculated their elastic, structural, optical, and electrical properties in this study utilising TB-MBJ potential (also GGA+U for AlCrF(3)) approximations, according to the Birch Murnaghan Equation curve an...

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Detalles Bibliográficos
Autores principales: Khan, Hukam, Sohail, Mohammad, Khan, Rajwali, Raman, Nasir, Ullah, Asad, Khan, Aurangzeb, Alataway, Abed, Dewidar, Ahmed Z., Elansary, Hosam O., Yessoufou, Kowiyou
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9457342/
https://www.ncbi.nlm.nih.gov/pubmed/36079324
http://dx.doi.org/10.3390/ma15175942

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9457342/
https://www.ncbi.nlm.nih.gov/pubmed/36079324
http://dx.doi.org/10.3390/ma15175942

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