IAM - Ceramic Materials and Technologies

Defect structure and formation of defect complexes in Cu2+-modified metal oxides derived from a spin-Hamiltonian parameter analysis

  • Author: Eichel, RA; Drahus, MD; Jakes, P; Erunal, E; Erdem, E; Parashar, SKS; Kungl, H; Hoffmann, MJ
  • Source:

    MOLECULAR PHYSICS, 2009, Band 107, Heft 19, S. 1981-1986


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.