Investigations of the local structure and the EPR parameters for Cu2+ in LaSrGaO4

The local structure and the spin Hamiltonian parameters (g factors and the hyperfine structure constants) for the tetragonal Cu2+ center in LaSrGaO4 are theoretically investigated from the high order perturbation formulas of these parameters for a 3d9 ion in tetragonally elongated octahedra. According to these studies, the impurity Cu2+ is found to be surrounded by a tetragonal oxygen octahedron with the bond lengths R//»2.233 Å and R^ » 1.982 Å. The theoretical spin Hamiltonian parameters based on the above local structure show good agreement with the experimental data.

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