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X-ray absorption near-edge spectra of transition metal disulfides FeS2 (pyrite and marcasite), CoS2, NiS2 and CuS2, and their isomorphs FeAsS and CoAsS |
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| Authors: | J F W Mosselmans R A D Pattrick G van der Laan J M Charnock D J Vaughan C M B Henderson C D Garner |
| Institution: | 1. Department of Geology, The University of Manchester, M13 9PL, Manchester, UK 2. Department of Chemistry, The University of Manchester, M13 9PL, Manchester, UK 3. Daresbury Laboratory, WA44AD, Warrington, UK |
| Abstract: | Metal K- and L3-, sulfur K- and arsenic K- and L3-edge X-ray absorption near-edge spectra of a series of metal disulfides, FeS2 (both pyrite and marcasite), CoS2, NiS2, and CuS2, and their isomorphs, FeAsS and CoAsS, are presented. The features in this region of these spectra are interpreted using band structure and molecular orbital calculations in terms of the transitions from the 1s or 2p3/2 state to unoccupied states. The 3d transition metal L3-edge spectra of these materials show dependence on the degree of multiplet splitting in the final state, and thus offer less information on the electronic ground state. There are substantial differences in the spectra of the isostructural materials, whereas the spectra of the isotopes pyrite and marcasite show several similarities, illustrating the dependence of near-edge region on electronic structure. |
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