Pressure-induced physical properties of KNbO3 using first-principles calculations for photocatalytic application
Shakeel Ahmad, Jalil Ur Rehman, Muhammad Usman, Syed Mansoor Ali, Mubasher Ali
Topics & Concepts
CASTEPBand gapDensity functional theorySemiconductorCondensed matter physicsMaterials scienceSupercellAnisotropyIsotropyPhotocatalysisDirect and indirect band gapsChemistryComputational chemistryOptoelectronicsOpticsOrganic chemistryGeologyThunderstormCatalysisPhysicsOceanographyElectronic and Structural Properties of OxidesFerroelectric and Piezoelectric MaterialsGa2O3 and related materials