Electronically induced trapping of hydrogen by impurities in niobium

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Journal Title
Journal ISSN
Volume Title
School of Science | A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Date
1984
Major/Subject
Mcode
Degree programme
Language
en
Pages
1065-1068
Series
Physical Review B, Volume 30, Issue 2
Abstract
The binding energies of hydrogen and its isotopes to substitutional impurities Ti, Cr, and V in niobium have been calculated. The hydrogen-metal interaction is based on the effective-medium theory. The wave mechanics of the hydrogenic interstitials are explicity dealt with, and the lattice distortion created by the hydrogen is incorporated through the method of lattice statics. The difference in the electronic structure between impurity and host atoms is shown to be largely responsible for the binding of hydrogen to the impurities. The results are in agreement with recent inelastic neutron scattering experiments.
Description
Keywords
niobium, hydrogen
Other note
Citation
Manninen, M. & Puska, M. J. & Nieminen, Risto M. & Jena, P. 1984. Electronically induced trapping of hydrogen by impurities in niobium. Physical Review B. Volume 30, Issue 2. 1065-1068. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.30.1065.