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Theoretical investigation of the local lattice structure of Mn 2+ ion doped in tetragonal K 2 ZnF 4 crystal

Author

Listed:
  • Z.-Y. Jiao
  • X.-Y. Kuang
  • X.-F. Huang
  • J.-H. Li
  • M.-L. Duan

Abstract

The complete energy matrices $\left( {252\times 252} \right)$ for a d 5 configuration ion in a tetragonal ligand-field has been constructed on the basis of the complete set of basis $\left| {L,S,M_L ,M_S } \right\rangle $ of d 5 configuration (252 dimension), and the relationship between the low-symmetry EPR parameters b 2 0 ,b 4 0 and the local distortion parameters has been established based on the complete energy matrices. As an application, we have studied the EPR parameters and the local lattice structure of Mn 2+ ion doped in tetragonal K 2 ZnF 4 system. The calculation indicated that the local lattice structure around a tetragonal Mn 2+ ion center has an expansion distortion. Simultaneously, the local lattice structure parameters R 1 =2.0727 Å, R 2 =2.0801 Å at room temperature (295 K) and R 1 ′ =2.0439 Å, R 2 ′ =2.05478 Å at low temperature (4.2 K) are determined. Copyright EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2006

Suggested Citation

  • Z.-Y. Jiao & X.-Y. Kuang & X.-F. Huang & J.-H. Li & M.-L. Duan, 2006. "Theoretical investigation of the local lattice structure of Mn 2+ ion doped in tetragonal K 2 ZnF 4 crystal," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 53(3), pages 297-300, October.
    • Handle: RePEc:spr:eurphb:v:53:y:2006:i:3:p:297-300
    DOI: 10.1140/epjb/e2006-00376-5
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