Theoretical Investigations into the Different Properties of Al-Based Fluoroperovskite AlMF3 (M = Cr, B) Compounds by the TB-MBJ Potential Method
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DOI: 10.3390/ma15175942
Abstract: Al-based fluoroperovskites compounds AlMF3 (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 AlCrF3) approximations, according to the Birch… read more here.
Keywords: investigations different; theoretical investigations; mbj potential; different properties ... See more keywords