Electronic structure and spin relaxation of Fe(III) in LiNbO3

Crystal field parameter have been determined from EPR spectra (77K) of LiNbO3∶Fe(III). Anomalous line shapes are described phenomenologically and saturation studies are compared with calculations using a second order dynamic spin-hamiltonian H′. Mossbauer spectra of LiNbO3∶Fe(III) have been interpreted by means of simulations using Liouville superoperators including a static fine-and a hyperfine spin-hamiltonian and H′. Calculations have been performed using an effective spin of 1/2, the supermatrix with dimension 288 and a reduced formalism (supermatrix with dimension 96).