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Electronic Structure of Interstitial Hydrogen in Aluminium

  • Raju P. Gupta
Part of the NATO Conference Series book series (NATOCS, volume 6)

Abstract

A supercell calculation for the electronic structure of interstitial hydrogen in Al has been performed. The metal states are pertuebed by the H and the lowest band is split-off resulting in the formation of a metal-hydrogen bonding state. The formation of an additional state (bound state) is not observed.

Keywords

Brillouin Zone Metal Hydride Metal State Ionic Lattice Band Complex 
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Copyright information

© Plenum Press, New York 1983

Authors and Affiliations

  • Raju P. Gupta
    • 1
  1. 1.Centre d’Etudes Nucléaires de SaclaySection de Recherches de Métallurgie PhysiqueGif sur Yvette CedexFrance

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