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.File in questo prodotto:
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