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Original Articles

Hydrogen-hydrogen chemical interaction in nickel

Pages 111-122 | Received 18 Sep 1987, Accepted 30 Nov 1987, Published online: 20 Aug 2006
 

Abstract

Abstract

The chemical binding energy associated with indirect interactions between hydrogen interstitials in f.c.c. ferromagnetic nickel has been calculated. A double extra-orbital tight-binding model Hamiltonian (TBMH) is used to include the additional hydrogen orbitals in terms of the well known single extra-orbital tight-binding Hamiltonian. An s-like orbital for the interstitial, in addition to s, p and d metallic orbitals, are considered. A repulsive interaction is obtained between hydrogen interstitials in octahedral locations for the first-, second- and third-nearest-neighbour positions.

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