52 research outputs found

    Effect of carbon content on electronic structure of uranium carbides

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    The electronic structure of UCx_x (x = 0.9, 1.0, 1.1, 2.0) was studied by means of x-ray absorption spectroscopy (XAS) at the C K edge and measurements in the high energy resolution fluorescence detection (HERFD) mode at the U M4_4 and L3_3 edges. The full-relativistic density functional theory calculations taking into account the Coulomb interaction U and spin-orbit coupling (DFT+U+SOC) were also performed for UC and UC2_2. While the U M4_4HERFD-XAS spectra of the studied samples reveal little difference, the U HERFD-XAS spectra show certain sensitivity to the varying carbon content in uranium carbides. The observed gradual changes in the U M4_4 HERFD spectra suggest an increase in the C 2p-U 5f charge transfer, which is supported by the orbital population analysis in the DFT+U+SOC calculations, indicating an increase in the U 5f occupancy in UC as compared to that in UC. On the other hand, the density of states at the Fermi level were found to be significantly lower in UC2_2, thus affecting the thermodynamic properties. Both the x-ray spectroscopic data (in particular, the C K XAS measurements) and results of the DFT+U+SOC calculations indicate the importance of taking into account U and SOC for the description of the electronic structure of actinide carbides

    Data for: Morphological characterization of the fresh ZrN coated UMo powders used in EMPIrE irradiation experiment: a practical approach.

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    Supplementary Information on the powder characterization of UMo(ZrN) particle

    Data for: Morphological characterization of the fresh ZrN coated UMo powders used in EMPIrE irradiation experiment: a practical approach.

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    Supplementary Information on the powder characterization of UMo(ZrN) particlesTHIS DATASET IS ARCHIVED AT DANS/EASY, BUT NOT ACCESSIBLE HERE. TO VIEW A LIST OF FILES AND ACCESS THE FILES IN THIS DATASET CLICK ON THE DOI-LINK ABOV

    Crystal Structure and Properties of U2Co3Al9

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    Intermetallics, 2007, 15, 1091-109

    Phase relation in the U-Mo-Al ternary system

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    J. Nucl. Mater., 2009, 389, 93–9

    Spin-glass behaviour of novel ternary uranium aluminide U3Co4+xAl12-x (x = 0.55)

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    Philos. Mag., 87(7), (2007), 1085-109

    Isothermal section at 900°C of the Ce-Fe-Si ternary system

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    J. Alloys Compd., 2007, 442, 104-10

    Alkali uranyl borates: bond length, equatorial coordination and 5f states

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    International audienceThree uranyl borates, UO2B2O4, LiUO2BO3 and NaUO2BO3, have been prepared by solid state syntheses. The influence of the crystallographic structure on the splitting of the empty 5f and 6d states have been probed using High Energy Resolved Fluorescence Detected X-ray Absorption Spectroscopy (HERFD-XAS) at the uranium M4-edge and L3-edge respectively. We demonstrate that the 5f splitting is increased by the decrease of the uranyl U-Oax distance, which in turn correlates with an increased bond covalency. This is correlated to the equatorial coordination change of the uranium. The role of the alkalis as charge compensating the axial oxygen of the uranyl is discussed

    Phase relations and stabilities at 900 °C in the U-Fe-Si ternary system

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    Intermetallics, 2008, 16, 373-37
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