Pb2 BO3 I: A Borate Iodide with the Largest Second-Harmonic Generation (SHG) Response in the KBe2 BO3 F2 (KBBF) Family of Nonlinear Optical (NLO) Materials

Hongwei Yu; Nathan Z Koocher; James M Rondinelli; P Shiv Halasyamani

doi:10.1002/anie.201802079

Pb₂ BO₃ I: A Borate Iodide with the Largest Second-Harmonic Generation (SHG) Response in the KBe₂ BO₃ F₂ (KBBF) Family of Nonlinear Optical (NLO) Materials

Angew Chem Int Ed Engl. 2018 May 22;57(21):6100-6103. doi: 10.1002/anie.201802079. Epub 2018 Mar 23.

Authors

Hongwei Yu¹, Nathan Z Koocher², James M Rondinelli², P Shiv Halasyamani¹

Affiliations

¹ Department of Chemistry, University of Houston, 112 Fleming Building, Houston, TX, 77204-5003, USA.
² Department of Materials Science and Engineering, Northwestern University, Evanston, IL, 60208-3108, USA.

PMID: 29512313
DOI: 10.1002/anie.201802079

Abstract

Borate halides are an ideal materials class from which to design high-performance nonlinear optical (NLO) materials. Currently, borate fluorides, chlorides, and bromides are extensively investigated while borate iodide materials discovery remains rare because of the perceived synthetic challenges. We report a new borate iodide, Pb₂ BO₃ I, synthesized by a straightforward hydrothermal method. The Pb₂ BO₃ I chemical formula conceals that the compound exhibits a structure similar to the well-established KBe₂ BO₃ F₂ (KBBF), which we show supports the highest second-harmonic generation (SHG) at 1064 nm in the KBBF family, 10 × KH₂ PO₄ (KDP), arising from the inclusion of Pb²⁺ and I^- and the crystal chemistry. Our work shows that KBBF-related compounds can be synthesized incorporating iodide and exhibit superior NLO responses.

Keywords: Pb2BO3I; borates; iodides; nonlinear optical materials; second-harmonic generation.

Publication types

Research Support, Non-U.S. Gov't
Research Support, U.S. Gov't, Non-P.H.S.