Photoemission spectra of the Rh 4d contribution to the valence band in diluted Rh-rare earth compounds (with Ce and Lu) deviate substantially from standard local density approximation (LDA) predictions, at variance with the results on Rh-rich phases. We attribute these deviations to incomplete screening of the final 4d hole due to the narrowing of the 4d band, related to the change in structure. We propose a scheme that improves considerably the coincidence between LDA and experiment by taking into account final state relaxation effects. © 1999 Elsevier Science B.V. All rights reserved.

Evidence for correlation shifts in the photoemission spectrum of late 4d transition metal compounds

VAVASSORI, Paolo;
1999

Abstract

Photoemission spectra of the Rh 4d contribution to the valence band in diluted Rh-rare earth compounds (with Ce and Lu) deviate substantially from standard local density approximation (LDA) predictions, at variance with the results on Rh-rich phases. We attribute these deviations to incomplete screening of the final 4d hole due to the narrowing of the 4d band, related to the change in structure. We propose a scheme that improves considerably the coincidence between LDA and experiment by taking into account final state relaxation effects. © 1999 Elsevier Science B.V. All rights reserved.
1999
Vavassori, Paolo; L., Duo; M., Richter
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11392/1211066
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