Abstract:

The anisotropic g factors (gx, gy, gz) for the rhombic Cu²⁺ center in Nasico type Cu₀.₅Zr2(PO₄)₃were theoretically investigated by using the high-order formulas of these parameters for a 3d9 ion in rhombically elongated octahedral. The rhombic field parameters in these formulas were determined from the superposition model and the local geometry for Cu²⁺ center. The result shows that the planar bond angle is about 10°  smaller  than the ideal 90°  in orthorhombic D2h symmetry for Cu²+ center in crystal and the theoretical g factors based on the above angular are in good agreement with the experimental data.

Key words: electron paramagnetic resonance; superposition model; Cu²⁺ ion; Cu₀.₅Zr2(PO₄)₃crystal