Structure and Origin of the Second-Harmonic Generation Response of Nonlinear Optical Material Sr<sub>2</sub>Be<sub>2</sub>B<sub>2</sub>O<sub>7</sub>
Xiyue Cheng, Yueping Zhang, Lijuan Liu, Xiaoyang Wang, Myung‐Hwan Whangbo, Jing Lin, Shuiquan Deng
Abstract
structure is almost equally good and has the advantage of having higher symmetry. Via atom response theory analysis, we resolved the cause for the second-harmonic generation (SHG) responses of SBBO at the atomic and orbital level to elucidate the importance of local inversion symmetry in reducing the SHG response.
Topics & Concepts
Crystal structureSecond-harmonic generationPoint reflectionSpace groupSuperstructureNonlinear opticalDiffractionSpace (punctuation)Group (periodic table)Atom (system on chip)Symmetry (geometry)Nonlinear opticsRietveld refinementCrystallographyMaterials scienceNonlinear systemMolecular physicsPhysicsChemistryX-ray crystallographyCondensed matter physicsOpticsQuantum mechanicsMathematicsGeometryComputer scienceLaserOperating systemEmbedded systemThermodynamicsCrystal Structures and PropertiesX-ray Diffraction in CrystallographyHigh-pressure geophysics and materials