Structural, Electronic and Optical Properties of Titanium Based Fluoro-Perovskites MTiF<sub>3</sub> (M = Rb and Cs) via Density Functional Theory Computation
Abdullah Abdullah, Umar Ayaz Khan, Sajid Khan, Sara J. Ahmed, Naimat Ullah Khan, Hamid Ullah, Shehla Naz, Lamia Ben Farhat, Mongi Amami, Vineet Tirth, Abid Zaman
Abstract
(M = Rb and Cs) are studied in the energy range of 0-40 eV.
Topics & Concepts
Density functional theoryLattice constantCondensed matter physicsBulk modulusMaterials scienceMagnetismElectronic band structureOptical conductivityBand gapGround stateElectronic structureMagnetic momentFerromagnetismPerovskite (structure)ChemistryComputational chemistryCrystallographyAtomic physicsPhysicsOpticsDiffractionHeusler alloys: electronic and magnetic propertiesThermal Expansion and Ionic ConductivityMultiferroics and related materials