AN IONIC GROUPING THEORY OF THE ELECTRO-OPTICAI AND NON-LINEAR OPTICAL EFFECTS OF CRYSTALS (II) A THEORETICAL CALCULATION OF THE SECOND HARMONIC OPTICAL COEFFICIENTS OF THE LITHIUM IODATE CRYSTAL BASED ON A HIGHLY DEFORMED OXYGEN-OCTAHEDRA MODEL I
AN IONIC GROUPING THEORY OF THE ELECTRO-OPTICAI AND NON-LINEAR OPTICAL EFFECTS OF CRYSTALS (II) A THEORETICAL CALCULATION OF THE SECOND HARMONIC OPTICAL COEFFICIENTS OF THE LITHIUM IODATE CRYSTAL BASED ON A HIGHLY DEFORMED OXYGEN-OCTAHEDRA MODEL I
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DOI：
10.7498/aps.26.124
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发表时间：
1977-03
影响因子：
1
通讯作者：
Chen Chuang-tian
中科院分区：
文献类型：
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作者：
Chen Chuang-tian
用高变形的氧-八面体基团(IO3)-1解释了LiIO3晶体的二次谐波光学系数。根据这种离子基团模型进行了计算。结果表明：1)碘酸盐晶体的二次谐波光学效应主要来源于离子基团(Io3)-1的共价键贡献。2)在这个(IO 3)-1基团中，对这些二次谐波光学效应有特殊影响的是氧的孤对电子轨道和|2σ&>，|2Py&>；
A highly deformed oxygen-octahedra group (IO 3 ) -1 such as that found in the iodate has been adapted te explain the second harmonic optical coefficients of the LiIO 3 crystal. Calculations have been made on the basis of such an ionic grouping model. Calculated values are in good agreement with the experimental ones, hence the following conclusions:1) The second harmonic optical effects of the iodate crystal arise mainly from the covalent-bond contribution of the ionic grouping (IO 3 ) -1 . 2) Within this (IO 3 ) -1 grouping it is the lone-pair electronic orbitals and the |2σ>, |2P y > orbitals of oxygen which have particulas influence on these second harmonic optical effects.