| Na2SbF5晶体倍频系数的理论计算 |
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| 引用本文： | 吴克琛,陈创天.Na2SbF5晶体倍频系数的理论计算[J].物理学报,1992,41(9):1436-1439. |
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| 作者姓名： | 吴克琛 陈创天 |
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| 作者单位： | 中国科学院福建物质结构研究所,福州350002 |
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| 摘 要： | 本文使用阴离子基团理论计算了Na2SbF5晶体的倍频系数,得到d123=4.48×10-10esu,与实验值符合较好。计算结果表明,阴离子基团中孤对电子的存在有利于产生大的倍频效应。本文还分析了Na2SbF5晶体倍频系数小的原因:尽管(SbF5)2-基团存在孤对电子可以对晶体倍频系数有较大贡献,但孤对电子能级的相对位置对其倍频系数有不利影响,从而导致它的倍频系数d123较小。
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| 关 键 词： | 非线性光学 晶体 倍频系数 计算 |
| 收稿时间： | 9/9/1991 12:00:00 AM |
THEORETICAL CALCULATION OF SHG COEFFICIENTS OF Na2SbF5 CRYSTAL |
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| WU KE-CHEN and CHEN CHUANG-TIAN.THEORETICAL CALCULATION OF SHG COEFFICIENTS OF Na2SbF5 CRYSTAL[J].Acta Physica Sinica,1992,41(9):1436-1439. |
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| Authors: | WU KE-CHEN and CHEN CHUANG-TIAN |
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| Abstract: | The anionic group theory for nonlinear optical crystal has been applied to calculate SHG coefficients of Na2SbF5 crystal. The calculated dm is 4.48×10-10 esu, which agrees well with the experimental value. The theoretical results indicated an important fact that the major part of SHG coefficient is determined by the lone pair orbital of anionic group (SbF5)2-. Moreover, through analyzing the location of lone pair energy level, the reason why Na2SbF5 crystal has so small second-order susceptibility has been explained. |
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