First-principles calculations to investigate effect of pressure on physical properties of LiNbO3 perovskite for photocatalytic application
Shakeel Ahmad, Jalil Ur Rehman, Muhammad Usman, Syed Mansoor Ali, Mubasher Ali
Topics & Concepts
CASTEPChemistryBand gapPhotocatalysisAnisotropyPiezoelectricityDirect and indirect band gapsCondensed matter physicsDensity functional theoryComposite materialOpticsComputational chemistryMaterials scienceOrganic chemistryCatalysisPhysicsPhotorefractive and Nonlinear OpticsFerroelectric and Piezoelectric MaterialsPerovskite Materials and Applications