d-Orbital directed X-ray photoemission from some transition-metal fluoride single crystals and associated X? calculations. KNiF3
- 1 January 1983
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics
- Vol. 79 (6) , 799-806
- https://doi.org/10.1039/f29837900799
Abstract
Angle-resolved photoemission energy distributions (PED) were obtained from the valence band of a potassium nickel(II) fluoride (KNiF3) single crystal using Mg Kα radiation. The PED were similar to that obtained from the analogous compound KMnF3 except that the metal 3dt2g distribution was split into two peaks owing to the multiplet structure of the final state obtained using the one-electron model. The ground-state SCF Xα calculation for the NiF4– 6 cluster revealed an order of peaks in the valence-band spectrum different from that predicted by a transition-state calculation. The PED could be explained by the transition-state calculation but not by the ground-state calculation.Keywords
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