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首页> 外文期刊>Journal of Alloys and Compounds: An Interdisciplinary Journal of Materials Science and Solid-state Chemistry and Physics >A theoretical analysis of zero-field splitting parameters of Mn~(2+) doped dicadmium diammonium sulfate Cd_2(NH_4)_2(SO_4)_3 single crystal
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A theoretical analysis of zero-field splitting parameters of Mn~(2+) doped dicadmium diammonium sulfate Cd_2(NH_4)_2(SO_4)_3 single crystal

机译:Mn〜(2+)掺杂硫酸二镉二铵Cd_2(NH_4)_2(SO_4)_3单晶零场分裂参数的理论分析

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摘要

The superposition model (SPM) and crystallographic data are utilized to determine the zero-field splitting (ZFS) parameters (ZFSPs) for Mn~(2+) ions in Cd_2(NH_4)_2(SO_4)_3 single crystal, assuming that the Mn~(2+) ions locate at either Cd~(2+) or NH~(4+) site. The SPM results has been verified by the fourth-order perturbation formulae analysis. Experimental suggestions about Mn~(2+) ions substituting at Cd~(2+) sites have been confirmed theoretically for the first time.
机译:利用叠加模型(SPM)和晶体学数据确定Cd_2(NH_4)_2(SO_4)_3单晶中Mn〜(2+)离子的零场分裂(ZFS)参数(ZFSPs) 〜(2+)离子位于Cd〜(2+)或NH〜(4+)位置。 SPM结果已通过四阶摄动公式分析得到了验证。理论上首次证实了有关Mn〜(2+)离子取代Cd〜(2+)位的实验建议。

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