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Correlation between Zero-Field Splitting and Site Distortions of Cr3+ Ions in NH4Cl:Cr3+ System: a Complete Energy Matrix Study

  • 1Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065 2International Centre for Materials Physics, Chinese Academy of Sciences, Shenyang 110016

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  • Received Date: November 10, 2008
  • Published Date: April 30, 2009
    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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    • References (28)
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