Crystal-field analyses for trivalent lanthanide ions in LiYF_4  

作　　者：程军 闻军 陈永虎 尹民 段昌奎 

机构地区：[1]Key Laboratory of Strongly-Coupled Quantum Matter Physics, Chinese Academy of Sciences, School of Physical Sciences, University of Science and Technology of China [2]School of Physics and Electronic Engineering, Anqing Normal University

出　　处：《Journal of Rare Earths》2016年第10期1048-1052,共5页稀土学报（英文版）

基　　金：Project supported by the National Key Basic Research Program of China(2013CB921800);the National Natural Science Foundation of China(11274299,11374291,11574298,11204292,11404321);the Anhui Provincial Natural Science Foundation(1308085QE75)

摘　　要：Based on the completely parametric crystal-field model, the energy level parameters, including free-ion parameters and crystal-field parameters, obtained by fitting the experimental energy level data sets of Ln^（3＋） in LiYF_4 were systematically analyzed. The results revealed that the regular variation trends of the major parameters at relatively low site symmetry still existed. The g factors of ground states were calculated using the parameters obtained from least-squares fitting. The results for Ce^（3＋）, Nd^（3＋）, Sm^（3＋）, Dy^（3＋） and Yb^（3＋） were in good agreement with experiment, while those of Er^（3＋） deviated from experiment dramatically. Further study showed that the g factors depended strongly on B_4~6, and a slightly different B_4~6 value of -580cm^（-1） led to g factors agreeing well with the experimental values.Based on the completely parametric crystal-field model, the energy level parameters, including free-ion parameters and crystal-field parameters, obtained by fitting the experimental energy level data sets of Ln^（3＋） in LiYF_4 were systematically analyzed. The results revealed that the regular variation trends of the major parameters at relatively low site symmetry still existed. The g factors of ground states were calculated using the parameters obtained from least-squares fitting. The results for Ce^（3＋）, Nd^（3＋）, Sm^（3＋）, Dy^（3＋） and Yb^（3＋） were in good agreement with experiment, while those of Er^（3＋） deviated from experiment dramatically. Further study showed that the g factors depended strongly on B_4~6, and a slightly different B_4~6 value of -580cm^（-1） led to g factors agreeing well with the experimental values.

关 键 词：crystal-field interactions LiYF4 lanthanide ions variation trends g factors rare earths 

分 类 号：O614.111[理学—无机化学]