Theoretical explanations of the spin Hamiltonian parameters for Cu2+ ion in LaSrAl1-xCuxO4 solid solution

It is of interest for layered oxides containing copper because they are related to high temperature superconductivity. Among them, LaSrAl1-xCuxO4 solid solution has received much attention due to its elastic and elasto-optic properties and application as promising substrate for high-T-c superconducting thin films. So many theoretical and experimental works have been done to understand the several characteristics of the LaSrAl1-xCuxO4 materials. In this paper, the electron paramagnetic resonance g factors g(II), g(perpendicular to) and hyperfine structure constants A(II), A(perpendicular to) for the tetragonal CU2+ center in LaSrAl1-xCuxO4 solid solution are theoretically explained by the method of diagonalizing the full Hamiltonian matrix. The related crystal field parameters are calculated from the superposition model and the local structural parameters of the impurity Cu2+ occupying the host Al3+ site. The superposition model parameters used in this work are comparable with those for similar tetragonal (CuO6)(10-) clusters in the previous works. The calculated results are in reasonable agreement with the observed values. The results are discussed.