LiNbO_3:Ni^(2+)晶体局域结构研究

Theoretical study on the local structure and the spin-Hamiltonian parameters for Ni^(2+) ions in LiNbO_3 crystal

目的从理论上给出LiNbO3:Ni2+晶体基态自旋哈密顿参量的理论解释。方法采用自旋哈密顿理论,建立了LiNbO3:Ni2+晶体中晶体结构和自旋哈密顿参量之间的关系,对LiNbO3:Ni2+晶体自旋哈密顿参量进行了计算。结果计算结果与实验结果能够很好地符合。结论本文采用的晶格畸变模型是合理的。

Aim To interpret theoretically the spin-Hamiltonian（SH） parameters of LiNbO3：Ni2＋ crystal. Methods The relations between the SH parameters and crystal structure of LiNbO3：Ni2＋ crystal have been established by using the SH theory. Results The calculated results tallies with experiment data. Conclusion The lattice distortion model we adopted is reasonable.