Sr₃B₆O₁₁F₂: a promising polar fluoroborate with short UV absorption edge and moderate second harmonic generation response

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• 作者：Zhenjun Huang ; Xin Su ; Shilie Pan ; Xiaoyu Dong ; Shujuan Han ; Hongwei Yu ; Min Zhang ; Yun Yang ; Sifang Cui ; Zhihua Yang
• 关键词：Nonlinear optical material ; Polar structure ; Sr3B6O11F2 ; First-principles calculation
• 刊名：Scripta Materialia
• 出版年：2013
• 出版时间：September, 2013
• 年：2013
• 卷：69
• 期：6
• 页码：449-452
• 全文大小：706 K

文摘

Single crystals of Sr₃B₆O₁₁F₂ were grown using the high-temperature solution method. It produces a second harmonic generation intensity about 2.5 times that of KH₂PO₄ and is phase-matchable. Its UV cut-off edge is below 190 nm. The complete sets of band structures, birefringence and susceptibility d_ij coefficients were studied by ab initio calculations. All these properties indicate that Sr₃B₆O₁₁F₂ is a new nonlinear optical crystal applicable in the UV region.