5d-level energies of Ce3+ and the crystalline environment.: I.: Fluoride compounds
5d-level energies of Ce3+ and the crystalline environment.: I.: Fluoride compounds
复制标题
DOI：
10.1103/physrevb.62.15640
复制
发表时间：
2000-12-15
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
收集了17种不同氟化物中Ce3+的全部5个5d能级的位置信息。一种涉及氟离子极化率的模型，最初由莫里森[J.化学]提出。太棒了。72,1001(1980)]，用来根据观测到的5d组态的平均能量计算所谓的光谱极化率α(Sp)。它将与实际的晶体内氟离子极化率进行比较。α(Sp)与晶体结构中存在的阳离子类型之间似乎存在着关系。小的高价阳离子往往会降低质心位移。大阳离子则有相反的效果。Ce3+周围氟离子配位多面体的大小和类型决定了5d能级的晶场分裂。结合已有的关于质心位移和晶场分裂的知识，将解释另外25个含氟化合物的第一个4f-gt；5d跃迁的能量。
Information on the position of all five 5d levels of Ce3+ in 17 different fluoride compounds has been collected. A model involving the polarizability of the fluoride ions, originally suggested by Morrison [J. Chem. Phys. 72, 1001 (1980)], is used to calculate the so-called spectroscopic polarizability alpha (sp) from the observed average energy of the 5d configuration. It will be compared with actual in-crystal fluoride ion polarizabilities. There appears a relationship between alpha (sp) and the types of cations present in the crystal structure. Small high valency cations tend to reduce the centroid shift. Large cations have the opposite effect. The size and the type of the fluoride ion coordination polyhedron around Ce3+ determine the crystal field splitting of the 5d levels. Combining the gained knowledge on centroid shift and crystal field splitting, the energy of the first 4f-->5d transition in about 25 additional fluoride compounds will be interpreted.