5d-level energies of Ce3+ and the crystalline environment.: III.: Oxides containing ionic complexes -: art. no. 125117
5d-level energies of Ce3+ and the crystalline environment.: III.: Oxides containing ionic complexes -: art. no. 125117
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DOI：
10.1103/physrevb.64.125117
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发表时间：
2001-09-15
影响因子：
3.7
通讯作者：
Dorenbos, P
中科院分区：
文献类型：
--
作者：
Dorenbos, P
Ce3+离子与CO32-、SO42-、PO33-、BO33-和SiO44-离子配合物或氧化物中中性水分子配合的5d能级能量信息将被呈现并系统分析。受激Ce3+的5d构型的平均能量相对于自由离子值向较低能量偏移。质心位移取决于这些离子配合物中氧配体的结合强度。它将通过一个模型来分析，该模型提供了一个与氧配体的极化率直接相关的参数。将证明与化合物中阳离子的电负性的定性关系。5d能级的晶体场分裂是根据与Ce3+离子配位的阴离子多面体的类型和大小来解释的。所有数据表明，晶体场分裂的行为与质心位移无关。通过结合质心位移和晶体场分裂，解释了Ce3+掺杂氧化物中第一电偶极允许的fd跃迁的红移。
Information on the energy of 5d levels of Ce3+ ions coordinated by CO32-, SO42-, PO33-, BO33-, and SiO44- ionic complexes or by neutral water molecules in oxide compounds will be presented and systematically analyzed. The average energy of the 5d configuration of excited Ce3+ is shifted towards lower energy relative to the free ion value. This centroid shift depends on the binding strength of the oxygen ligands in these ionic complexes. It will be analyzed by means of a model which provides a parameter that is directly related to the polarizability of the oxygen ligands. A qualitative relationship with the electronegativity of the cations in the compounds will be demonstrated. Crystal-field splitting of the 5d levels is interpreted in terms of the type and size of anion polyhedron coordinating the Ce3+ ion. All data indicate that crystal-field splitting behaves independently from the centroid shift. By combining centroid shift and crystal-field splitting, the redshift of the first electric dipole-allowed fd transition in Ce3+-doped oxide compounds will be interpreted.