Electronic Structure of Interstitial Hydrogen in Aluminium
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.
KeywordsBrillouin Zone Metal Hydride Metal State Ionic Lattice Band Complex
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