An accurate prediction of electronic structure, mechanical stability and optical response of BaCuF3 fluoroperovskite for solar cell application
Mubashar Ali, Mubashar Ali, Zunaira Bibi, M.W. Younis, Muhammad Mubashir, Muqaddas Iqbal, Muhammad Usman Ali, Muhammad Usman Ali, Muhammad Asif Iqbal
Topics & Concepts
Materials scienceDensity functional theoryBand gapStructural stabilityStability (learning theory)Electronic structureBrittlenessDuctility (Earth science)Absorption (acoustics)StiffnessSolar cellPhotonOptoelectronicsMolecular physicsOpticsComposite materialComputational chemistryChemistryPhysicsStructural engineeringMachine learningCreepComputer scienceEngineeringHeusler alloys: electronic and magnetic propertiesMultiferroics and related materialsThermal Expansion and Ionic Conductivity