Second-Order Nonlinear-Optical-Active Selenide Borate YSeBO<sub>2</sub>: Featuring a [YSeBO<sub>2</sub>]<sub><i>n</i></sub> Planar Belt
Zhen‐Tao Lu, Wenjing Fan, Zhiqian Wang, Ning Gu, Zeng-Hao Yue, Huaiguo Xue, Sheng‐Ping Guo
Abstract
Chalcogenide borates were very rarely investigated in the past. As the second selenide borate, YSeBO2 obtained by a high-temperature solid-state reaction crystallizes in the noncentrosymmetric orthorhombic space group Cmc21 with a novel structure type. Its structure consists of two basic building units, [BO3]3– planar triangles and [YO3Se4]11– pentagonal bipyramids, and features the [YSeBO2]n planar belt. Second-harmonic-generation measurement shows its phase-matchable activity. YSeBO2 has an optical energy gap of 3.45 eV. Density functional theory calculation is also performed, addressing the electronic structure and nonlinear-optical property.
Topics & Concepts
ChemistryBoronPlanarNonlinear opticalSelenideOrder (exchange)CrystallographyNonlinear systemInorganic chemistrySeleniumOrganic chemistryPhysicsEconomicsFinanceComputer scienceQuantum mechanicsComputer graphics (images)Crystal Structures and PropertiesMolecular spectroscopy and chiralityHigh-pressure geophysics and materials