Investigations of the defect structure for Cu2+ in LaSrGa0.995Cu0.005O4 Ceramics

Abstract

The defect structure and spin Hamiltonian parameters ([Formula: see text] factors [Formula: see text], [Formula: see text] and the hyperfine structure constants [Formula: see text] and [Formula: see text]) for the tetragonal [Formula: see text] in [Formula: see text] ceramics are theoretically studied from the perturbation formulas of these parameters for a [Formula: see text] ion in a tetragonally elongated octahedron. The impurity [Formula: see text] center exhibits the larger relative tetragonal elongation ratio [Formula: see text] than that [Formula: see text] of the host [Formula: see text] site due to the Jahn–Teller effect. The relationship between the [Formula: see text] anisotropy [Formula: see text] [Formula: see text] and the local tetragonal distortion is analyzed. The present studies would be helpful to the understandings of delocalization of the [Formula: see text] [Formula: see text] orbitals under tetragonal elongation distortion and its role in superconductivity of oxygen cuprates.