Delocalized versus localized unoccupied 5f states and the uranium site structure in uranium oxides and glasses probed by x-ray-absorption near-edge structure

Delocalized versus localized unoccupied 5f states and the uranium site structure in uranium oxides and glasses probed by x-ray-absorption near-edge structure. Petiau, J., Calas, G., Petitmaire, D., Bianconi, A., Benfatto, M., & Marcelli, A. Physical Review B, 34(10):7350–7361, November, 1986.

Paper doi abstract bibtex

X-ray-absorption near-edge structure (XANES) spectroscopy at the M 3 , 4 , 5 and L 3 edges of uranium and thorium using synchrotron radiation has been used to probe the unoccupied 5 f electronic states and local structure of uranium sites in oxides and glasses. The uranium sites in hyperstoichiometric UO 2+x ( xâˆ¼0.25 , xâˆ¼0.66 ) oxides have been studied. The multiple-scattering resonance in the direction of the linear uranyl group UO 2 2+ is identified in the L 3 XANES spectra of uranyl nitrate hexahydrate. The localization of unoccupied 5 f states in uranium and thorium oxides and glasses has been probed by M 4 - and M 5 -edge spectra. The presence of narrow 5 f localized unoccupied states in Th- and U-containing glasses is indicated by the symmetric sharp white line due to 3d5 f n +1 final states. The variable width of the white line indicates that the bandwidth of unoccupied 5 f states increases by 4 eV going from glasses to oxides. The presence of 5 f components in the U 6 d conduction band of oxides, due to hybridization between the U 6d , 7s and U 5f states is shown by a long asymmetric tail of the white line at its high-energy side extending up to 12 eV. No evidence of many-body effects in XANES spectra, due to the configuration interaction between localized 5f configurations which was observed in mixed-valence rare-earth-metal compounds, has been found in Th and U oxides.

@article{petiau_delocalized_1986,
	title = {Delocalized versus localized unoccupied 5f states and the uranium site structure in uranium oxides and glasses probed by x-ray-absorption near-edge structure},
	volume = {34},
	issn = {0163-1829},
	url = {http://dx.doi.org/10.1103/physrevb.34.7350},
	doi = {10.1103/physrevb.34.7350},
	abstract = {X-ray-absorption near-edge structure (XANES) spectroscopy at the M 3 , 4 , 5 and L 3 edges of uranium and thorium using synchrotron radiation has been used to probe the unoccupied 5 f electronic states and local structure of uranium sites in oxides and glasses. The uranium sites in hyperstoichiometric UO 2+x ( xâˆ¼0.25 , xâˆ¼0.66 ) oxides have been studied. The multiple-scattering resonance in the direction of the linear uranyl group UO 2 2+ is identified in the L 3 XANES spectra of uranyl nitrate hexahydrate. The localization of unoccupied 5 f states in uranium and thorium oxides and glasses has been probed by M 4 - and M 5 -edge spectra. The presence of narrow 5 f localized unoccupied states in Th- and U-containing glasses is indicated by the symmetric sharp white line due to 3d5 f n +1 final states. The variable width of the white line indicates that the bandwidth of unoccupied 5 f states increases by 4 eV going from glasses to oxides. The presence of 5 f components in the U 6 d conduction band of oxides, due to hybridization between the U 6d , 7s and U 5f states is shown by a long asymmetric tail of the white line at its high-energy side extending up to 12 eV. No evidence of many-body effects in XANES spectra, due to the configuration interaction between localized 5f configurations which was observed in mixed-valence rare-earth-metal compounds, has been found in Th and U oxides.},
	number = {10},
	journal = {Physical Review B},
	author = {Petiau, J. and Calas, G. and Petitmaire, D. and Bianconi, A. and Benfatto, M. and Marcelli, A.},
	month = nov,
	year = {1986},
	keywords = {2e, complex-matter, glasses, u, xanes},
	pages = {7350--7361}
}

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