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.

中文翻译：

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Pb2BO3I：非线性光学（NLO）材料KBe2BO3F2（KBBF）系列中具有最大二次谐波生成（SHG）响应的硼酸碘化物

硼酸盐卤化物是设计高性能非线性光学（NLO）材料的理想材料类别。当前，对硼酸根的氟化物，氯化物和溴化物进行了广泛的研究，而硼酸碘化物的材料发现仍然很少，因为人们认为存在合成方面的挑战。我们报告一个新的硼酸盐，碘化铅₂ BO ₃ I，通过一个简单的水热法合成。Pb ₂ BO ₃ I化学式掩盖了该化合物具有与成熟的KBe ₂ BO ₃ F ₂（KBBF）类似的结构，我们证明了该结构在KBBF 1064 nm处具有最高的二次谐波生成（SHG）家庭，10×KH ₂ PO₄（KDP），从Pb组成的夹杂物引起的²⁺和我^-和晶体化学。我们的工作表明，KBBF相关化合物可以与碘化物合成，并表现出优异的NLO响应。