DFT investigation of lattice parameters, spontaneous polarization, and refractive indices of tetragonal BaTiO3 and PbTiO3
Said Amounas, Abdellah Hbab, H. Chaib, Thami Ait-Taleb
Topics & Concepts
PseudopotentialTetragonal crystal systemDensity functional theoryCondensed matter physicsMaterials scienceBarium titanateRefractive indexPolarization (electrochemistry)Lattice (music)Plane waveOpticsChemistryComputational chemistryDielectricPhysicsCrystal structurePhysical chemistryCrystallographyOptoelectronicsAcousticsPhotorefractive and Nonlinear OpticsOptical and Acousto-Optic TechnologiesFerroelectric and Piezoelectric Materials