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首页> 外文期刊>Physica, B. Condensed Matter >Investigations of the g factors and crystal field parameters for Ce ~3 in CaYAlO _4 crystal (Review)
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Investigations of the g factors and crystal field parameters for Ce ~3 in CaYAlO _4 crystal (Review)

机译:CaYAlO _4晶体中Ce〜3的g因子和晶体场参数的研究(综述)

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摘要

The EPR g factors g _|| and g _⊥ for Ce ~3 at the tetragonal Y ~3/Ca ~2 site of CaYAlO _4 crystal are calculated from a complete diagonalization (of energy matrix) method. In the method, the contributions to g factors of ground Kramers doublet due to all the rest doublets within the ground and excited multiplets ~2F _(5/2) and ~2F _(7/2) (rather than the doublets within only the ground multiplet ~2F _(5/2) in the previous paper) are considered. The crystal field parameters Bkq in the energy matrix are obtained from the superposition model with the structural data of CaYAlO _4 crystal. The calculated g factors are in much better agreement with the experimental values than those from the simple method in the previous paper. The calculated crystal field parameters Bkq are comparable with those of other trivalent rare earth ions in the isomorphous ABCO _4 crystals and can be regarded as reasonable. The calculations suggest that the crystal field parameter B20 is positive in Ce ~3:CaYAlO _4 crystal. The opinion that the parameter B20 must be negative and the simple calculation method of g factors resulting in this opinion are unreliable. It appears that for the reasonable and exact calculations of g factors for 4f 1 ion in crystals, the complete diagonalization (of energy matrix) method should be applied.
机译:EPR g因子g _ || CaYAlO _4晶体的四边形Y〜3 / Ca〜2位点处Ce〜3的g_⊥和g_⊥由(能量矩阵)的完全对角化方法计算得出。在该方法中,地面Kramers对g因子的贡献加倍,这是由于地面中所有其余的双峰和〜2F _(5/2)和〜2F _(7/2)激发的多重峰(而不是仅在考虑了地面多重波〜2F _(5/2)。能量矩阵中的晶体场参数Bkq由具有CaYAlO _4晶体的结构数据的叠加模型获得。计算出的g因子与实验值相比,比以前论文中的简单方法要好得多。计算出的晶体场参数Bkq与同晶ABCO _4晶体中其他三价稀土离子的晶体场参数相当,可以认为是合理的。计算表明,Ce〜3:CaYAlO _4晶体的晶体场参数B20为正。认为参数B20必须为负的观点以及导致这种观点的简单的g因子计算方法都是不可靠的。似乎为了合理准确地计算晶体中4f 1离子的g因子,应采用完整的(能量矩阵)对角化方法。

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