Sign and Magnitude of Spin Hamiltonian Parameters for Mn2+ Impurities in Calcite. A Multi- and Low-Frequency Study.

Hogni Weihe (1) , Stergios Piligkos (1)

1 Department of Chemistry [Copenhagen]

L-, S-, and X-band powder EPR spectra and an L-band single-crystal spectrum of Mn2+ impurities in calcite are analysed by full fitting of full spectral traces to a theoretical model. This analysis gives as parameters the traditional spin Hamiltonian parameters reflecting the three-fold symmetry of the cation site as well as parameters determining the bandshape and width of the resonances. Three frequencies give a consistent description of the system. For this spin system it is shown that the relative sign of the axial zero-field splitting parameter and the hyperfine coupling constant may safely be determined at low frequencies.

Mots clés: Physical Sciences

Hogni Weihe, Stergios Piligkos. Sign and Magnitude of Spin Hamiltonian Parameters for Mn2+ Impurities in Calcite. A Multi- and Low-Frequency Study.. Molecular Physics, 2008, 105 (15-16), pp.2025-2030. ⟨10.1080/00268970701513856⟩. ⟨hal-00513121⟩