Correlation between Zero-Field Splitting and Site Distortions of Cr3+ Ions in NH4Cl:Cr3+ System: a Complete Energy Matrix Study
GAO Ming-Liang1, KUANG Xiao-Yu1,2, ZHAO Ya-Ru1, QI Lin1, LI Yan-Fang1
1Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 6100652International Centre for Materials Physics, Chinese Academy of Sciences, Shenyang 110016
Correlation between Zero-Field Splitting and Site Distortions of Cr3+ Ions in NH4Cl:Cr3+ System: a Complete Energy Matrix Study
GAO Ming-Liang1, KUANG Xiao-Yu1,2, ZHAO Ya-Ru1, QI Lin1, LI Yan-Fang1
1Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 6100652International Centre for Materials Physics, Chinese Academy of Sciences, Shenyang 110016
摘要A theoretical method for investigating the inter-relation between the electronic and molecular structures of 3d3 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 Cr3+ centers in the NH4Cl:Cr3+ system are determined. Furthermore, the relations between the molecular symmetry and the ligand field symmetry are discussed.
Abstract：A theoretical method for investigating the inter-relation between the electronic and molecular structures of 3d3 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 Cr3+ centers in the NH4Cl:Cr3+ system are determined. Furthermore, the relations between the molecular symmetry and the ligand field symmetry are discussed.
GAO Ming-Liang;KUANG Xiao-Yu;ZHAO Ya-Ru;QI Lin; LI Yan-Fang. Correlation between Zero-Field Splitting and Site Distortions of Cr3+ Ions in NH4Cl:Cr3+ System: a Complete Energy Matrix Study[J]. 中国物理快报, 2009, 26(5): 57102-057102.
GAO Ming-Liang, KUANG Xiao-Yu, ZHAO Ya-Ru, QI Lin, LI Yan-Fang. Correlation between Zero-Field Splitting and Site Distortions of Cr3+ Ions in NH4Cl:Cr3+ System: a Complete Energy Matrix Study. Chin. Phys. Lett., 2009, 26(5): 57102-057102.
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2009, Vol. 26 
