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- W132988895 abstract "The structural, electronic, and optical properties of crystalline fluoroperovskites RbCaF3 were investigated using full potential linearized aug mented plane wave (FP-LAPW) method with the generalized gradient appro ximation (WC-GGA ), generalized gradient approximat ion (PBE-GGA ), and the local density approximat ion (LDA). A detailed comparison between pre-existing calculated values, experimental measurements, and results obtained from previous theoretical studies is provided. The contribution of the electronic states to simplify the optical propert ies is d iscussed. In these calculations, it is shown that this structure has indirect energy band-gap (M-Γ). A theoretical study of the high hydrostatic pressure dependence of the electronic properties of the fluoroperovskites RbCaF3 is also presented here. The dielectric function, the refractive index, the absorption coefficient, and the reflectiv ity are calculated and presented as well." @default.
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- W132988895 date "2013-01-01" @default.
- W132988895 modified "2023-09-26" @default.
- W132988895 title "First Principles Study of Structural, Electronic and Optical Properties of the Fluoroperovskite RbCaF 3 Crystal" @default.
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