title: Design and Synthesis of the Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material Ba₃(ZnB₅O₁₀)PO₄.
abstract: Access to the elusive deep-ultraviolet by direct second harmonic generation (SHG) enabled by a new beryllium-free zincoborate-phosphate crystal is reported. Ba3(ZnB5O10)PO4, exhibits large SHG responses at 1064 and 532 nm and a short 180 nm absorption edge. Centimeter-size crystals are grown, and quantum mechanical calculations demonstrate the key role played by ZnO4 tetrahedra in the enhanced optical responses.
authors.affiliation: Department of Chemistry, University of Houston, 112 Fleming Building, Houston, TX, 77204-5003, USA.
authors.forename: Hongwei
authors.initials: H
authors.lastname: Yu
authors.affiliation: Department of Chemistry, University of Houston, 112 Fleming Building, Houston, TX, 77204-5003, USA.
authors.forename: Weiguo
authors.initials: W
authors.lastname: Zhang
authors.affiliation: Department of Materials Science and Engineering, Drexel University, 3141 Chestnut Street, Philadelphia, PA, 19104, USA.|Department of Materials Science and Engineering, Northwestern University, 2220 Campus Drive, Evanston, IL, 60208-3108, USA.
authors.forename: Joshua
authors.initials: J
authors.lastname: Young
authors.affiliation: Department of Materials Science and Engineering, Northwestern University, 2220 Campus Drive, Evanston, IL, 60208-3108, USA.
authors.forename: James M
authors.initials: JM
authors.lastname: Rondinelli
authors.affiliation: Department of Chemistry, University of Houston, 112 Fleming Building, Houston, TX, 77204-5003, USA.
authors.forename: P Shiv
authors.initials: PS
authors.lastname: Halasyamani
keywords: DFT calculations; borate-phosphates; deep ultraviolet; nonlinear optical materials; second-harmonic generation