Taming the optical response via (Ca:Zr) co-doped impurity in c-BaTiO3: A comprehensive computational insight
Mudassar Maraj, Aleena Fatima, S.S. Ali, Uzma Hira, Muhammad Rizwan, Zahid Usman, Wenhong Sun, A. Shaukat
Topics & Concepts
Materials scienceBand gapDopingCASTEPDensity functional theoryBarium titanateCondensed matter physicsDirect and indirect band gapsFermi levelFerroelectricityDensity of statesDielectricOptoelectronicsComputational chemistryChemistryPhysicsElectronQuantum mechanicsFerroelectric and Piezoelectric MaterialsMicrowave Dielectric Ceramics SynthesisPhotorefractive and Nonlinear Optics