Abstract

The nearest neighbour oxygen octahedron about copper functional centres in metal oxides has been systematically studied by means of electron paramagnetic resonance (EPR) spectroscopy. In particular, the determined g vertical bar,zz and [image omitted] spin-Hamiltonian parameters were analysed, finding linear dependences as a function of chemical bonding and local distortion of the oxygen octahedron. Moreover, through the introduction of a dimensionless coordination parameter , different defect structures with respect to the number of coordinated oxygen vacancies may be distinguished. This allows for a distinct assignment of defect complexes between the copper functional centre with one or two oxygen vacancies.