Theoretical investigation of the local lattice structure of Mn 2+ ion doped in tetragonal K 2ZnF 4 crystal |
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| Authors: | Z-Y Jiao X-Y Kuang X-F Huang J-H Li M-L Duan |
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| Institution: | (1) Institute of Atomic and Molecular Physics, Sichuan University, Chengdu, 610065, P.R. China;(2) Department of Physics, Henan Normal University, Xinxiang, 453007, P.R. China;(3) International Centre for Materials Physics, Academia Sinica, Shenyang, 110016, P.R. China;(4) Department of Physics, Sichuan Normal University, Chengdu, 610066, P.R. China |
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| Abstract: | The complete energy matrices
for a d5configuration ion in a tetragonal
ligand-field has been constructed on the basis of the complete set of
basis
of d5configuration (252
dimension), and the relationship between the low-symmetry EPR parameters
b2
0 ,b4
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 Mn2+
ion doped in tetragonal K2ZnF4 system. The calculation indicated that the local lattice structure around a tetragonal Mn2+ ion center has an expansion distortion. Simultaneously, the local lattice structure parameters R1 =2.0727 ?, R2 =2.0801 ? at room temperature (295 K) and R1
′ = 2.0439 ?, R2
′ =2.05478 ? at low
temperature (4.2 K) are determined. |
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| Keywords: | 71 70 Ch Crystal and ligand fields 76 30 -v Electron paramagnetic resonance and relaxation |
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