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自旋单态对3d2/3d8离子在三角场中的零场分裂和顺磁g因子的影响

Keywords: 光谱学,光学和磁学性质,晶体场,顺磁g因子

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Abstract:

根据SuganoTanabe强场方案,建立了3d2/3d8离子在C3v对称下的完全哈密顿矩阵(45×45阶)和只包括自旋三重态的哈密顿矩阵(30×30阶).以αAl2O3V3+\,LiNbO3Ni2+和CsNiCl3为例,研究了自旋单态对3d2/3d8离子在三角场中的基态零场分裂、顺磁g因子及光谱精细结构的影响.计算结果表明,自旋单态对光谱精细结构和顺磁g因子影响较小,而对零场分裂的影响则是不可忽略的.这种影响的实质是多重态之间存在着相互作用,这意味着多重态之间的相互作用是零场分裂的一种重要机制.

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