https://doi.org/10.1140/epjb/e2006-00376-5
Theoretical investigation of the local lattice structure of Mn 2+ ion doped in tetragonal K 2ZnF 4 crystal
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
Corresponding author: a scu_kxy@163.com
Received:
1
July
2006
Revised:
28
August
2006
Published online:
16
October
2006
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
b20 ,b40 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 Å, R2 =2.0801 Å at room temperature (295 K) and R1′ = 2.0439 Å, R2′ =2.05478 Å at low
temperature (4.2 K) are determined.
PACS: 71.70.Ch – Crystal and ligand fields / 76.30.-v – Electron paramagnetic resonance and relaxation
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2006
