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首页> 外文期刊>Journal of Materials Chemistry, C. materials for optical and electronic devices >Pb3B6O_(11)F2: the first non-centrosymmetric lead borate fluoride with a large second harmonic generation response
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Pb3B6O_(11)F2: the first non-centrosymmetric lead borate fluoride with a large second harmonic generation response

机译：Pb3B6O_（11）F2：二次谐波产生响应大的第一非中心对称硼酸铅氟化物

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摘要

The introduction of Pb~(2+) cations with the lone pair effect and the largest electronegativity of F~- anions successfully results in a new non-centrosymmetric lead borate fluoride, Pb3B6O_(11)F2, which possesses a large SHG response about four times that of KH2PO4 (KDP) and is type-l phase matchable. The structure is built from a 3-dimensional B-O network composed of hexaborate B6O_(14) groups and novel [FPb3]_∝ layers. First-principles electronic structure calculations show that the calculated birefringence of Pb3B6O_(11)F2 is about 0.07 in the visible region. Based on the measurement of the UV-Vis-NIR diffuse-reflectance spectrum, it exhibits a wide transparency range with a short UV cut-off edge at about 240 nm. All these properties indicate that Pb3B6O_(11)F2 is a promising nonlinear optical crystal in the UV region.
机译：引入具有孤对效应和F〜-阴离子最大电负性的Pb〜（2+）阳离子成功产生了一种新的非中心对称的硼酸铅氟化物Pb3B6O_（11）F2，其SHG响应大，约为4是KH2PO4（KDP）的两倍，并且是I型相匹配的。该结构是由3维B-O网络构建而成的，该网络由六硼酸B6O_（14）基团和新颖的[FPb3] _3层组成。第一性原理电子结构计算表明，Pb3B6O_（11）F2的双折射计算值在可见光区域约为0.07。根据对紫外-可见-近红外漫反射光谱的测量，它显示出较宽的透明度范围，在约240 nm处具有短的UV截止边缘。所有这些性质表明，Pb3B6O_（11）F2是在紫外线区域中有希望的非线性光学晶体。

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