Gd(NO<sub>3</sub>)(Se<sub>2</sub>O<sub>5</sub>)·3H<sub>2</sub>O: a nitrate–selenite nonlinear optical material with a short ultraviolet cutoff edge
Chao Wu, Longhua Li, Lin Lin, Zhipeng Huang, Mark G. Humphrey, Chi Zhang
Abstract
. The UV-Vis-NIR diffuse reflectance spectroscopy study shows that the UV cutoff edge of 1 is 224 nm, which is the shortest value observed among selenite-based NLO materials. The birefringence of 1 is 0.109@1064 nm based on density functional theory calculations. These optical properties make 1 a potential UV NLO material. Theoretical studies using density functional theory have been implemented to further understand the relationship between its optical properties and band structures.
Topics & Concepts
BirefringenceSeleniumCutoffDensity functional theoryMaterials scienceNonlinear opticalUltravioletSpectroscopyHydrogen bondRefractive indexAnalytical Chemistry (journal)OptoelectronicsChemistryOpticsMoleculeComputational chemistryNonlinear systemPhysicsQuantum mechanicsOrganic chemistryChromatographyMetallurgyCrystal Structures and PropertiesNonlinear Optical Materials ResearchCrystal structures of chemical compounds