Hydrogen and deuterium decoration of In-vacancy complexes in nickel

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dc.contributor Aalto-yliopisto fi
dc.contributor Aalto University en
dc.contributor.author Puska, Martti J.
dc.contributor.author Nieminen, Risto M.
dc.contributor.author Jena, P.
dc.date.accessioned 2015-08-28T09:01:17Z
dc.date.available 2015-08-28T09:01:17Z
dc.date.issued 1987
dc.identifier.citation Puska, M. J. & Nieminen, Risto M. & Jena, P. 1987. Hydrogen and deuterium decoration of In-vacancy complexes in nickel. Physical Review B. Volume 35, Issue 12. 6059-6063. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.35.6059. en
dc.identifier.issn 1550-235X (electronic)
dc.identifier.uri https://aaltodoc.aalto.fi/handle/123456789/17515
dc.description.abstract The quantum-mechanical states of hydrogen and deuterium in pure and defected nickel have been calculated using the effective-medium theory. The defects considered include monovacancies, the substitutional In impurity, a complex of four vacancies, and a complex of an In impurity decorated with a tetrahedron of four vacancies. While the substitutional In impurity does not trap hydrogen, the vacancy and the vacancy complexes with and without In association do. The calculated binding energy to the four vacancy complex is nearly insensitive to the hydrogen isotopic mass and to the In decoration. These results, along with the dependence of the hydrogen binding energy on multiple hydrogen occupancy of the In vacancy complex, are compared with recent perturbed-angular-correlation experiments. en
dc.format.extent 6059-6063
dc.format.mimetype application/pdf en
dc.language.iso en en
dc.publisher American Physical Society (APS) en
dc.relation.ispartofseries Physical Review B en
dc.relation.ispartofseries Volume 35, Issue 12
dc.rights © 1987 American Physical Society (APS). This is the accepted version of the following article: Puska, M. J. & Nieminen, Risto M. & Jena, P. 1987. Hydrogen and deuterium decoration of In-vacancy complexes in nickel. Physical Review B. Volume 35, Issue 12. 6059-6063. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.35.6059, which has been published in final form at http://journals.aps.org/prb/abstract/10.1103/PhysRevB.35.6059. en
dc.subject.other Physics en
dc.title Hydrogen and deuterium decoration of In-vacancy complexes in nickel en
dc.type A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä fi
dc.description.version Peer reviewed en
dc.rights.holder American Physical Society (APS)
dc.contributor.school Perustieteiden korkeakoulu fi
dc.contributor.school School of Science en
dc.contributor.department Department of Applied Physics en
dc.contributor.department Teknillisen fysiikan laitos fi
dc.subject.keyword hydrogen en
dc.subject.keyword deuterium en
dc.subject.keyword nickel en
dc.identifier.urn URN:NBN:fi:aalto-201508274132
dc.type.dcmitype text en
dc.identifier.doi 10.1103/physrevb.35.6059
dc.type.version Final published version en


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