Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1810131 | Physica B: Condensed Matter | 2013 | 4 Pages |
Abstract
The spin Hamiltonian parameters (g factors and hyperfine structure constants) and the Knight shifts for Cu2+ in the spin-Pierels compound CuGeO3 of rhombic and tetragonal phases are theoretically investigated from the high order perturbation formulas of these parameters for a 3d9 ion under rhombically and tetragonally elongated octahedra in a uniform way. The approximately linear relationships between Knight shifts and g factors are found, i.e., Ki/(giâgs)=Kj/(gjâgs) (with i, j=x, y and z; gsâ2.0023). The theoretical results show good agreement with the observed values, and the improvements are achieved by adopting the fewer adjustable parameters as compared with the previous treatments. The anisotropies of the g factors and the Knight shifts are attributed to the local rhombic and tetragonal elongations of the Cu2+ sites. The studies in this work would be helpful to establish complete physical scheme for uniform investigations on EPR and NMR spectroscopic behaviours of Cu2+ (or other similar 3d9 ions) in compounds.
Related Topics
Physical Sciences and Engineering
Physics and Astronomy
Condensed Matter Physics
Authors
Min-Quan Kuang, Shao-Yi Wu, Xian-Fen Hu, Bo-Tao Song,