Investigation of the electronic and optical properties of the compound Ba2BBiO6 (B = Sm, Tb) double perovskite oxides and their potential applications in photovoltaic cells
Loading...
Date
2025-06-22
Journal Title
Journal ISSN
Volume Title
Publisher
UNIVERSITE MOHAMED BOUDIAF - M’SILA
Abstract
This study focuses on the investigation of the electronic and optical properties of the double
perovskite compound Ba₂BBiO₆, where the B-site is occupied by either samarium or
terbium, employing advanced computational methods within the framework of Density
Functional Theory (DFT). The findings reveal that Ba₂SmBiO₆ exhibits spin-dependent halfmetallic behavior, indicating its suitability for spintronic applications, whereas Ba₂TbBiO₆
demonstrates direct bandgap semiconducting behavior, making it a promising material for
solar energy harvesting and photodetection. These results underscore the potential of these
compounds in the development of high-efficiency, cost-effective photovoltaic devices
Description
Keywords
Double perovskite, Density Functional Theory (DFT), Electronic properties, Optical properties, Half-metal, Spintronics, Bandgap, Solar cells, Complex oxides.