ISSN : 0976-8505
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.
Der Chemica Sinica received 6019 citations as per Google Scholar report