Correlation between Zero-Field Splitting and Site Distortions of Cr^3＋ Ions in NH4Cl：Cr^3＋ System： a Complete Energy Matrix Study  

作　　者：高明亮 邝小渝 赵亚儒 祁林 李艳芳 

机构地区：[1]Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065 [2]International Centre for Materials Physics, Chinese Academy of Sciences, Shenyang 110016

出　　处：《Chinese Physics Letters》2009年第5期199-202,共4页中国物理快报（英文版）

基　　金：Supported by the National Natural Science Foundation of China under Grant No 10774103, and the Doctoral Education Fund of the Ministry of Education of China under Grant No 20050610011.

摘　　要：A theoretical method for investigating the inter-relation between the electronic and molecular structures of 3d^3 configuration ions in a tetragonal ligand field is established on the basis of the 120 × 120 complete energy matrices. Using this method, the local structure parameters of two tetragonal Cr^3＋ centers in the NH4 Cl：Cr^3＋ system are determined, Furthermore, the relations between the molecular symmetry and the ligand field symmetry are discussed.A theoretical method for investigating the inter-relation between the electronic and molecular structures of 3d^3 configuration ions in a tetragonal ligand field is established on the basis of the 120 × 120 complete energy matrices. Using this method, the local structure parameters of two tetragonal Cr^3＋ centers in the NH4 Cl：Cr^3＋ system are determined, Furthermore, the relations between the molecular symmetry and the ligand field symmetry are discussed.

分 类 号：O641.1[理学—物理化学] TQ113.72[理学—化学]