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Chemical Binding Energy of a Pair of Hydrogen Atoms in Palladium

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Recent Developments in Condensed Matter Physics

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Abstract

Using an extra-orbital model within a generalized “spd” tight-binding approximation, we calculate the chemical binding energy of a pair of hydrogen atoms in palladium within the infinite dilution limit. The parameters of the calculation are based on an electronic structure model of hydrogen in palladium built from a Slater-Koster fit to first principles bands structure for the host, combined with one s extra-orbital for each isolated hydrogen atom. We find that cluster of hydrogen cannot form in agreement with inelastic neutron-scattering in α-palladium hydride.

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References

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Author information

Authors and Affiliations

  1. Laboratoire de Magnétisme et de Structure Electronique des Solides (LA au CNRS N° 306), Université Louis Pasteur, 4, rue Blaise Pascal, 67070, Strasbourg Cedex, France

    C. Demangeat, M. A. Khan, G. Moraitis & J. C. Parlebas

  2. Université Mohammed V, Rabat, Maroc

    G. Moraitis

Authors
  1. C. Demangeat
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  2. M. A. Khan
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  3. G. Moraitis
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  4. J. C. Parlebas
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Editor information

Editors and Affiliations

  1. University of Antwerpen (RUCA and UIA), Belgium

    J. T. Devreese (Chairman of the Conference) (Chairman of the Conference)

  2. University of Antwerpen (RUCA), Belgium

    L. F. Lemmens  & V. E. Van Doren  & 

  3. University of Antwerpen (UIA), Belgium

    J. Van Royen

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© 1981 Plenum Press, New York

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Demangeat, C., Khan, M.A., Moraitis, G., Parlebas, J.C. (1981). Chemical Binding Energy of a Pair of Hydrogen Atoms in Palladium. In: Devreese, J.T., Lemmens, L.F., Van Doren, V.E., Van Royen, J. (eds) Recent Developments in Condensed Matter Physics. Springer, Boston, MA. https://doi.org/10.1007/978-1-4684-1086-0_46

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  • DOI: https://doi.org/10.1007/978-1-4684-1086-0_46

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4684-1088-4

  • Online ISBN: 978-1-4684-1086-0

  • eBook Packages: Springer Book Archive

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