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

Rüdiger Eichel (1)

1 Physikalische Chemie I

The nearest neighbor oxygen octahedron of copper functional centers in metal oxides has been systematically studied by means of electron paramagnetic resonance (EPR) spectroscopy. In particular, the determined g and A spin-Hamiltonian parameters were analyzed, finding linear dependences as function of chemical bonding and local lattice distortion. Through the introduction of a dimensionless coordination parameter different defect structures with respect to the number of coordinated oxygen vacancies may be distinguished, allowing for an assignment of defect dipoles with one or two oxygen vacancies.

Mots clés: Physical Sciences

Rüdiger Eichel. Defect structure and formation of defect complexes in Cu2+-modified metal oxides derived from a spin-Hamiltonian parameter analysis. Molecular Physics, 2009, 107 (19), pp.1981-1986. ⟨10.1080/00268970903084920⟩. ⟨hal-00519620⟩