Investigating the Physical Properties of Thallium-Based Ternary TlXF3 (X = Be, Sr) Fluoroperovskite Compounds for Prospective Applications
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DOI: 10.1021/acsomega.3c00549
Abstract: In the present work, several properties of fluoroperovskites are computed and examined through the approximations of trans- and blaha-modified Becke–Johnson (TB-mBJ) and generalized gradient approximation of Perdew–Burke–Ernzerhof (GGA-PBE) integrated within density functional theory (DFT). The… read more here.
Keywords: fluoroperovskite compounds; investigating physical; physical properties; based ternary ... See more keywords