X-ray photoelectron-spectroscopy study of oxides of the transuranium elements Np, Pu, Am, Cm, Bk, and Cf

Veal, B. W.; Lam, D. J.; Diamond, H.; Hoekstra, H.R.

doi:10.1103/physrevb.15.2929

Cited by 191 publications

(102 citation statements)

References 23 publications

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“…Figure 4 shows nonresonant O Kα emission spectra measured at 561.1 eV aligned with O 1s XAS spectra of UO 2 , U 3 O 8 and UO 3 . The emission and absorption spectra were plotted on the common binding-energy scale using the O 1s core-level energy values available in the literature [9,10]. For comparison, calculated O 2p DOS of UO 2 using the local spin density approximation (LSDA+U) approach [11] is also shown at the bottom.…”

Section: Resultsmentioning

confidence: 99%

Uranium oxides investigated by X-ray absorption and emission spectroscopies

Magnuson

Butorin

Werme

et al. 2006

Applied Surface Science

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X-ray absorption and resonant X-ray emission measurements at the O 1s edge of the uranium oxides UO 2 , U 3 O 8 and UO 3 are presented. The spectral shapes of the O Kα X-ray emission spectra of UO 3 exhibit significant excitation energy dependence, from an asymmetric to a symmetric form, which differs from those of UO 2 and U 3 O 8 . This energy dependence is attributed to a significant difference in the oxygen-uranium hybridization between two different sites in the crystal structure of UO 3 . The spectral shapes of UO 2 and U 3 O 8 are also found to be different but without significant energy dependence. The experimental spectra of the valence and conduction bands of the uranium oxides are compared to the results of electronic structure calculations available in the literature.

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Section: Resultsmentioning

confidence: 99%

Uranium oxides investigated by X-ray absorption and emission spectroscopies

Magnuson

Butorin

Werme

et al. 2006

Applied Surface Science

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“…There are no spectra of Bk metal, to the best of our knowledge, but valence-band and 4f PE of Bk oxide can be found in Veal et al (1977).…”

Section: H Berkeliummentioning

confidence: 89%

“…A considerable amount of screening in the light actinides is performed by the delocalized 5f electrons and because Th has little 5f weight the core-electron ionization is not effectively screened. The 4f PE spectra of the Th-Cf oxides can be found in Veal et al (1977) . FIG.…”

Section: Fig 6 (A) (Color Online) Rearranged Periodicmentioning

confidence: 99%

Nature of the5fstates in actinide metals

2009

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Actinide elements produce a plethora of interesting physical behaviors due to the 5f states. This review compiles and analyzes progress in understanding of the electronic and magnetic structure of the 5f states in actinide metals. Particular interest is given to electron energy-loss spectroscopy and many-electron atomic spectral calculations, since there is now an appreciable library of core d → valence f transitions for Th, U, Np, Pu, Am, and Cm. These results are interwoven and discussed against published experimental data, such as x-ray photoemission and absorption spectroscopy, transport measurements, and electron, x-ray, and neutron diffraction, as well as theoretical results, such as density-functional theory and dynamical mean-field theory.

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“…Pu 2 O 3 has been synthesized only in the A-and C-forms. The XPS measurements on sesquioxides from Pu 2 O 3 to Cf 2 O 3 have been reported, [33,34,35] and the absence of features at the Fermi level points towards the localized nature of the 5f electrons in these compounds. This indicates that they are semiconductors or insulators, in agreement with the ideal nominal picture of A There exist relatively few calculations of the electronic structure of the actinide sesquioxides.…”

Section: Background Informationmentioning

confidence: 94%

“…They are also the most relevant systems for applications and, as a consequence, are the most studied actinide oxide compounds, both experimentally and theoretically. [9,11,33,35,37,39,40,41,42,43,44,45,46,47,48,49,50] On the experimental side, a comprehensive summary of their electronic, magnetic, transport and optical properties can be found in Troć et al. [48] The absence of features at the Fermi level in the observed XPS spectra [35] indicates that all the dioxides are semiconductors or insulators.…”

Section: Background Informationmentioning

confidence: 99%

Electronic structure and ionicity of actinide oxides from first principles

et al. 2010

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The ground state electronic structures of the actinide oxides AO, A2O3 and AO2 (A=U, Np, Pu, Am, Cm, Bk, Cf) are determined from first-principles calculations, using the self-interaction corrected local spin-density (SIC-LSD) approximation. Emphasis is put on the degree of f-electron localization, which for AO2 and A2O3 is found to follow the stoichiometry, namely corresponding to A 4+ ions in the dioxide and A 3+ ions in the sesquioxides. In contrast, the A 2+ ionic configuration is not favorable in the monoxides, which therefore become metallic. The energetics of the oxidation and reduction of the actinide dioxides is discussed, and it is found that the dioxide is the most stable oxide for the actinides from Np onwards. Our study reveals a strong link between preferred oxidation number and degree of localization which is confirmed by comparing to the ground state configurations of the corresponding lanthanide oxides. The ionic nature of the actinide oxides emerges from the fact that only those compounds will form where the calculated ground state valency agrees with the nominal valency expected from a simple charge counting.

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X-ray photoelectron-spectroscopy study of oxides of the transuranium elements Np, Pu, Am, Cm, Bk, and Cf

Cited by 191 publications

References 23 publications

Uranium oxides investigated by X-ray absorption and emission spectroscopies

Uranium oxides investigated by X-ray absorption and emission spectroscopies

Nature of the5fstates in actinide metals

Electronic structure and ionicity of actinide oxides from first principles

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