Ultra-violet to visible band gap engineering of cubic halide KCaCl<sub>3</sub> perovskite under pressure for optoelectronic applications: insights from DFT
Muhtasim Ali Haq, Md Saiduzzaman, Tariqul Islam Asif, Ismile Khan Shuvo, Khandaker Monower Hossain
Abstract
in microelectronics, integrated circuits, QLED, OLED, solar cells, waveguides, solar heat reduction materials, and surgical instruments has been suggested through deep optical analysis. The use of external hydrostatic pressure has a considerable impact on the mechanical properties of this material, making it more ductile and anisotropic.
Topics & Concepts
Hydrostatic pressureBand gapPerovskite (structure)OptoelectronicsDirect and indirect band gapsMaterials scienceMicroelectronicsHalideDensity functional theoryLattice constantElectronic band structureSolar cellAnisotropyCondensed matter physicsChemistryOpticsDiffractionCrystallographyComputational chemistryPhysicsThermodynamicsInorganic chemistryPerovskite Materials and Applications2D Materials and ApplicationsHeusler alloys: electronic and magnetic properties