Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
7992876 | Journal of Alloys and Compounds | 2018 | 6 Pages |
Abstract
The EPR parameters of the impurity Cu2+ and Ni+ in LiNbO3 are theoretically studied from the perturbation formulas for 3d9 ions under rhombically elongated and compressed octahedra, respectively. In both centers, the impurity Cu2+ and Ni+ ions was ascribed to occupy the host trigonally-distorted octahedral Li+ sites and the octahedrons experience the Jahn-Teller distortion from trigonal to rhombically -elongated and -compressed, respectively. The elongated [CuO6]10â cluster (and compressed [NiO6]11â cluster) are ascribed to suffering the axial elongation of 0.102â¯Ã
(and compression of 0.062â¯Ã
) along z-axis and the planar bonds are found to experience the relative variation of 0.023â¯Ã
(and 0.032â¯Ã
), respectively, due to the Jahn-Teller effect. The calculated EPR parameters based on the above lattice distortions agree reasonably with the experimental data, and the local structures of the impurity centers are discussed.
Related Topics
Physical Sciences and Engineering
Materials Science
Metals and Alloys
Authors
Hua-Ming Zhang, Wen-Bo Xiao,