Polar polymorphism: α- and β-KCsWP<sub>2</sub>O<sub>9</sub>nonlinear optical materials with a strong second harmonic generation response
Tuohetijiang Baiheti, Shujuan Han, Abudukadi Tudi, Zhihua Yang, Shilie Pan
Abstract
Two polymorphs of KCsWP<sub>2</sub>O<sub>9</sub>exhibit a large SHG response due to non-bonding O-2p orbitals and strong orbital interactions of W-5d orbitals and O-2p orbitals, the orientations of the dipole moments of WO<sub>6</sub>are also beneficial for the large SHG response.
Topics & Concepts
Atomic orbitalMaterials scienceDipolePolarNonlinear opticalMolecular orbitalSecond-harmonic generationNatural bond orbitalMolecular physicsAtomic physicsCrystallographyDensity functional theoryPhysicsNonlinear systemOpticsElectronMoleculeChemistryQuantum mechanicsLaserCrystal Structures and PropertiesOrganometallic Compounds Synthesis and CharacterizationSolid State Laser Technologies