8 research outputs found

    Ab initio lattice dynamics and elastic constants of ZrC

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    TiC lattice dynamics from ab initio calculations

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    First Principles Study of Phonon Modes in PuCoGa5 Superconductor.

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    Abstract not availableJRC.E-Institute for Transuranium Elements (Karlsruhe

    Probing the Coulomb interaction of PuCoGa5 by phonon spectroscopy

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    The phonon dispersion curves of the unconventional superconductor PuCoGa5 were studied by inelastic X-ray scattering at room temperature. The experimental data agree well with ab initio lattice dynamics calculations. An accurate theoretical description of the phonon spectrum is obtained only when a local Coulomb repulsion U approx. 3  eV among 5f electrons is taken into account. This implies partial localization of the 5f electrons in this compound. A comparison made with the phonon spectrum of UCoGa5 suggests that the latter compound is better described with a fully itinerant f electrons model

    Probing the Coulomb Interaction of the Unconventional Superconductor PuCoGa5 by Phonon Spectroscopy

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    The discovery of superconductivity in the plutonium based intermetallic compound PuCoGa5 came as a surprise with regard to the high transition temperature Tc 18,5 K for an actinide material [1].JRC.E.6-Actinides researc
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