Calculation of multipole transitions at the Fe K pre-edge through p-d hybridization in the Ligand Field Multiplet model. - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue EPL - Europhysics Letters Année : 2000

Calculation of multipole transitions at the Fe K pre-edge through p-d hybridization in the Ligand Field Multiplet model.

Résumé

For the first time, commonly unaccessible local electronic structure parameters of Fe2+ and Fe3+ in minerals are derived from the calculation of the pre-edge features of X-ray absorption spectra at the Fe K edge. The Ligand Field Multiplet approach is used to calculate the eigenstates of the ions and the absolute intensities of the electric-quadrupole and dipole transitions involved in the pre-edge. For ions in tetrahedral symmetry, a new model for p-dhybridization is developed. The degree of admixture between 3d and 4p levels is derived and local structure parameters (crystal field, bond covalency) are obtained.

Dates et versions

hal-00085666 , version 1 (13-07-2006)

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M.-A. Arrio, Stéphanie Rossano, Ch. Brouder, L. Galoisy, G. Calas. Calculation of multipole transitions at the Fe K pre-edge through p-d hybridization in the Ligand Field Multiplet model.. EPL - Europhysics Letters, 2000, 51, pp.454-460. ⟨10.1209/epl/i2000-00515-8⟩. ⟨hal-00085666⟩
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