Hydrogen and deuterium decoration of In-vacancy complexes in nickel

Tutkimustuotos: Lehtiartikkelivertaisarvioitu

Tutkijat

Organisaatiot

  • University of Jyväskylä
  • Virginia Commonwealth University

Kuvaus

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.

Yksityiskohdat

AlkuperäiskieliEnglanti
Sivut6059-6063
Sivumäärä5
JulkaisuPhysical Review B
Vuosikerta35
Numero12
TilaJulkaistu - 15 huhtikuuta 1987
OKM-julkaisutyyppiA1 Julkaistu artikkeli, soviteltu

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