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Theoretical Studies of the EPR Parameters of Nd

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Theoretical Studies of the EPR Parameters of Nd

3+

in LiYF

4

Shao-Yi Wua,band Hui-Ning Dongb,c

aDepartment of Applied Physics, University of Electronic Science and Technology of China, Chengdu 610054, P. R. China

bInternational Centre for Materials Physics, Chinese Academy of Sciences, Shenyang 110016, P. R. China

cCollege of Electronic Engineering, Chongqing University of Posts and Telecommunications, Chongqing 400065, P. R. China.

Reprint requests to S.-Y. W.; e-mail: wushaoyi@netease.com Z. Naturforsch. 59a, 235 – 238 (2004); received November 6, 2003

The perturbation formulas of the electron paramagnetic resonance (EPR) parameters g, g⊥, A and A⊥for a 4f3(Nd3+) ion in tetragonal symmetry are established in this work. In these formulas, the contributions to the EPR parameters arising from the second-order perturbation terms and the admixtures of different states are included. Then the above formulas are applied to a tetragonal Nd3+ center in LiYF4, where the related crystal-field parameters are calculated from the superposition model and the local structural parameters of the Y3+site occupied by the impurity Nd3+. The EPR parameters and the optical spectra within the4I9/2 and 4I11/2 states obtained in this work agree reasonably with the observed values.

Key words: EPR; Crystal-fields and Spin Hamiltonian; Nd3+; LiYF4.

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