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    Xie Junkai, Yi Xianyu, Ning Youming, Zhao Shangbo, Wu Pingfeng, Yu Yixin. The Theroretical Studies for Absorption Spectra and the Cubic Zero-Field Splitting of Fe3+ Ion in Garnets[J]. Chinese Journal of Chemical Physics , 1992, 5(1): 22-28.
    Citation: Xie Junkai, Yi Xianyu, Ning Youming, Zhao Shangbo, Wu Pingfeng, Yu Yixin. The Theroretical Studies for Absorption Spectra and the Cubic Zero-Field Splitting of Fe3+ Ion in Garnets[J]. Chinese Journal of Chemical Physics , 1992, 5(1): 22-28.

    The Theroretical Studies for Absorption Spectra and the Cubic Zero-Field Splitting of Fe3+ Ion in Garnets

    • In this article, We have uniformly calculated out the cubic zer-field splitting (CZFS) and d-d transition absorption spectra of Fe3+ ion located at double site(Td, Oh) in the garnets (YIG or YGG) for the first time, by using the complete matrices of the perturbation Hamiltonian H' in fhe d5 configuration. As the theoretical results agree with the experimental ones, it is reliable to calculated the CZFS parameter a by this method in which the complete matrices of the H' for d5 system in group Oh* are used. Therefore, the theoretical calculated difficult with Low and Yu met has been solved.
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