Structural, elastic, electronic, optical and thermoelectric properties of fluoroperovskites AGeF 3 (A= K, Rb, and Fr) have been investigated using Density Functional Theory (DFT) …
This study aims to use Density Functional Theory (DFT) to investigate structural and electronic properties of cubic fluoroperovskites TlBF 3 (B= Ge, Sn, Pb, Zn, Cd, Hg, Mg, Ca …
MU Ghani, M Sagir, MB Tahir, S Ullah… - International Journal of …, 2024 - Elsevier
The energy crisis can be met by switching to renewable energy sources. The present study explores the physical and hydrogen storage capacity of XCdH 3 (X= K, Rb) by first-principles …
Abdullah, UA Khan, S Khan, SJ Ahmed, NU Khan… - ACS …, 2022 - ACS Publications
This study reports the theoretical investigations on the structural, electronic, and optical properties of titanium-based fluoro-perovskites MTiF3 (M= Cs and Rb) using density …
This work displays the structural, electronic, elastic, optical, and magnetic properties in spin- polarized configurations for cubic fluoroperovskite ABF 3 (A= Tl, B= Nb, V) compounds …
This study focuses on the exploration of pressure effects on the structural, electronic, optical, and mechanical properties of a cubic halide perovskite RbCaCl 3 using density functional …
A Zahoor, M Isa, T Mahmood - Physica B: Condensed Matter, 2023 - Elsevier
DFT based calculations are used to study the structural and elastic properties of pure and doped LaAlO 3. By inclusion Be along La-site and Al-site (La 1-x Be x AlO 3 and LaAl 1-x Be …
The purpose of this work was to investigate the dosimetric and luminescence properties of the novel KMgF 3: Eu 0.5%, Yb 0.1%, Li 15% fluoroperovskite synthesized using the sol-gel …
In this investigation, the structural, electronic, and optical characteristics of cubic fluoro perovskite of pure and (Mg, Be) doped RbCaF3 are determined using the GGA-PBE …