Browsing by Subject "Halide perovskites"
Now showing items 1-4 of 4
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Ab initio predictions of pressure-dependent structural, elastic, and thermodynamic properties of CaLiX3 (X = Cl, Br, and I) halide perovskites
(Elsevier B.V., 2023)In this comprehensive investigation, we undertook an ab initio exploration of the pressure-dependent structural, elastic and thermodynamic attributes of lithium-based halide perovskite compounds, namely CaLiCl3, CaLiBr3 ... -
Electronic and optical characteristics of CaLiX3 (X = Cl, Br, I) perovskite compounds using the Tran-Blaha modified Becke-Johnson potential
(Institute of Physics, 2024)We present the results of a comprehensive investigation using the full-potential linearized augmented plane wave approach to analyze the structural characteristics, electronic structures, and optical spectra of the perovskite ... -
Electronic, thermodynamical and thermoelectric performances of RbSnI3 halide perovskite for photovoltaic cell and UV absorber applications
(Elsevier, 2023)Thermoelectric materials are the best materials for energy conservation and its use in technological applications. In this context, the novel materials with multifunctional properties are constantly in demand. The perovskites ... -
Investigation of the structural, electronic and optical properties of halide perovskites AgXBr3 (X = Ca, Sr, and Ba) using DFT framework
(Indian Assoc Cultivation Science, 2025)Using the full-potential linearised augmented plane wave approach, we examined the structural, electronic, and optical features of AgXBr3 perovskite materials (X = Ca, Sr, or Ba). The GGA-PBEsol exchange-correlation ...
