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It has been generally accepted that the threshold structure observed in theoxygen K edge X-ray absorption spectrum in 3d transition metal oxidesrepresents the electronic structure of the 3d transition metal. There is,however, no consensus about the correct description. We present aninterpretation, which includes both ground state hybridization and electroncorrelation. It is based on a configuration interaction cluster calculationusing a MO6 cluster. The oxygen K edge spectrum is calculated by annihilating aligand hole in the ground state and is compared to calculations representinginverse photoemission experiments in which a 3d transition metal electron isadded. Clear differences are observed related to the amount of ligand holecreated in the ground state. Two "rules" connected to this are discussed.Comparison with experimental data of some early transition metal compounds ismade and shows that this simple cluster approach explains the experimentalfeatures quite well.Comment: 10 pages, submitted to Phys. Rev. B, tried to make a better PS file

physical review. b, condensed matter

Threshold electronic structure at the oxygen<i>K</i>edge of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>3</mml:mn><mml:mi>d</mml:mi></mml:math>-transition-metal oxides: A configuration interaction approach

Threshold electronic structure at the oxygenKedge of3d-transition-metal oxides: A configuration interaction approach