SUPEREXCHANGE INTERACTION AND SYMMETRY PROPERTIES OF ELECTRON ORBITALS
SUPEREXCHANGE INTERACTION AND SYMMETRY PROPERTIES OF ELECTRON ORBITALS
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DOI：
10.1016/0022-3697(59)90061-7
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发表时间：
1959-01-01
影响因子：
4
通讯作者：
KANAMORI, J
中科院分区：
文献类型：
--
作者：
KANAMORI, J
讨论了电子轨道的对称性与超交换作用的关系。结果表明，超交换相互作用的符号是密切相关的阳离子轨道状态，当阳离子受到晶体场所产生的八面体或四面体周围的阴离子。在某些情况下，超交换相互作用的符号由对称关系确定。特别讨论了每个阳离子受八面体立方场作用，相互作用的阳离子与中间阴离子的连线成180°或90°角的情况。我们对180°情况的讨论适用于钙钛矿型和NaCl型晶体，而对90°情况的讨论适用于无水氯化物。在每个阳离子都受四面体立方场作用的情况下，只要只有阴离子的-轨道参与超交换作用，阳离子电子轨道的对称性与超交换作用之间就有一定的关系。TiH 2就是这种情况的一个例子。最近邻阳离子之间的相互作用在晶体中的NaCl型进行了讨论。
The relation between the symmetry of electron orbitals and superexchange interaction is discussed. It is shown that the sign of the superexchange interaction is closely connected with the cation orbital state, when the cation is subject to the crystalline field arising from octahedrally or tetrahedrally surrounding anions. In some cases, the sign of the superexchange interaction is definitely determined from the symmetry relations. The cases in which each cation is subject to an octahedral cubic field and the lines connecting the interacting cations to the intervening anion make an angle of either 180° or 90° are discussed in particular. Our discussion of the 180° case is applicable to crystals of the perovskite type and NaCl type and that of the 90° case to anhydrous chlorides. In the case where each cation is subject to a tetrahedral cubic field, there is a definite relation between the symmetry of the cation electron orbitals and superexchange interaction, if only thes-orbital of anion participates in the superexchange interaction. TiH2is an example of this case. The interaction between nearest-neighbor cations in the crystal of the NaCl type is also discussed.