Second harmonic generation responses of KH<sub>2</sub>PO<sub>4</sub>: importance of K and breaking down of Kleinman symmetry
Minghao Jia, Xiyue Cheng, Myung‐Hwan Whangbo, Maochun Hong, Shuiquan Deng
Abstract
ions arise overwhelmingly from the polarizable parts of the electronic structure, namely, from the valence bands of the O-2p nonbonding states and from the conduction bands of the K-3d states.
Topics & Concepts
FerroelectricitySecond-harmonic generationPolarizabilityValence (chemistry)Condensed matter physicsDielectricDensity functional theoryIonPhase (matter)Atom (system on chip)Polarization (electrochemistry)Materials scienceChemistryPhysicsComputational chemistryOpticsMoleculeOptoelectronicsPhysical chemistryLaserOrganic chemistryEmbedded systemComputer scienceSolid-state spectroscopy and crystallographyCrystal Structures and PropertiesSpectroscopy and Quantum Chemical Studies