| CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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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 |
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| Cite this article: |
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GAO Ming-Liang, KUANG Xiao-Yu, ZHAO Ya-Ru et al 2009 Chin. Phys. Lett. 26 057102 |
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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.
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| Keywords:
71.70.Ch
76.30.Fc
75.30.Et
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Received: 11 November 2008
Published: 23 April 2009
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| PACS: |
71.70.Ch
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(Crystal and ligand fields)
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76.30.Fc
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(Iron group (3d) ions and impurities (Ti-Cu))
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75.30.Et
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(Exchange and superexchange interactions)
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