| 含孤立MO3平面基团晶体折射率计算 |
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| 引用本文： | 覃方丽,李如康.含孤立MO3平面基团晶体折射率计算[J].人工晶体学报,2009,38(1):26-32. |
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| 作者姓名： | 覃方丽 李如康 |
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| 作者单位： | 中国科学院理化技术研究所北京人工晶体研究发展中心,北京,100190;中国科学院研究生院,北京,100039;中国科学院理化技术研究所北京人工晶体研究发展中心,北京,100190 |
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| 摘 要： | 本文建立了一种计算含孤立MO3 (M=B,C)平面基团晶体折射率简单可行的方法,选择部分已知折射率的含孤立MO3平面基团的晶体,采用最小二乘拟合法,定出基团各向异性极化率和其晶体环境参数,并据此计算其它晶体的折射率.对30余种晶体折射率的计算结果表明,该方法所得结果与实测值之间相差不大于3.5;.同时计算了YCa4O(BO3)3,LaCa4O(BO3)3,Ca5(BO3)3F三种单斜晶体的折射率主轴方向,其中对LaCa4O(BO3)3和YCa4O(BO3)3两种晶体,计算结果与实验值符合很好,将为该晶体未来定向提供参考.
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| 关 键 词： | 折射率 硼酸盐 碳酸盐 光学晶体 |
Calculation of Refractive Indices of Crystals with Isolated Planar MO_3 Groups |
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| QIN Fang-li,LI Ru-kang.Calculation of Refractive Indices of Crystals with Isolated Planar MO_3 Groups[J].Journal of Synthetic Crystals,2009,38(1):26-32. |
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| Authors: | QIN Fang-li LI Ru-kang |
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| Institution: | 1.Beijing Center for Crystal Research and Development;Technical Institute of Physics and Chemistry;Chinese Academy of Sciences;Beijing 100190;China;2.Graduate University of the Chinese Academy of Sciences;Beijing 100039;China |
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| Abstract: | A convenient method to calculate the anisotropic refractive indices of optical crystals with planar MO3 groups was proposed.Based on the polarizability and environment parameters of the MO3 groups obtained by fitting the calculation and experimental results of some selected crystals,the refractive indices of over 30 borate,carbonate crystals are calculated.It is found that the relative errors of the predicted and measured refractive indices are within 3.5%.In addition,the directions of the principal axes of... |
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| Keywords: | refractive indices borate carbonate optical crystal |
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