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Pb2BO3I: A Borate Iodide with the Largest Second‐Harmonic Generation (SHG) Response in the KBe2BO3F2 (KBBF) Family of Nonlinear Optical (NLO) Materials
Authors:Dr Hongwei Yu  Dr Nathan Z Koocher  Prof Dr James M Rondinelli  Prof Dr P Shiv Halasyamani
Affiliation:1. Department of Chemistry, University of Houston, Houston, TX, USA;2. Department of Materials Science and Engineering, Northwestern University, Evanston, IL, USA
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, Pb2BO3I, synthesized by a straightforward hydrothermal method. The Pb2BO3I chemical formula conceals that the compound exhibits a structure similar to the well‐established KBe2BO3F2 (KBBF), which we show supports the highest second‐harmonic generation (SHG) at 1064 nm in the KBBF family, 10 × KH2PO4 (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:borates  iodides  nonlinear optical materials  Pb2BO3I  second-harmonic generation
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