Multiple deuterium occupancy of vacancies in Pd and related metals

P. Nordlander; Jens Kehlet Nørskov; F. Besenbacher; S. M. Myers

doi:10.1103/PhysRevB.40.1990

Multiple deuterium occupancy of vacancies in Pd and related metals

P. Nordlander, Jens Kehlet Nørskov, F. Besenbacher, S. M. Myers

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Abstract

The binding energies of up to six deuterium atoms into monovacancies of Pd, Ni, Fe, Cu, Nb, and Mo have been calculated using the effective-medium theory. For all metals it is found that at least six D atoms can be accommodated in the vacancy. Of the systems studied the deuterium-deuterium interaction is found to be least repulsive for Pd. This multiple occupancy of the vacancy defect can have potentially significant implications for the recently proposed fusion of D atoms in Pd.

Original language	English
Journal	Physical Review B
Volume	40
Issue number	3
Pages (from-to)	1990-1992
ISSN	2469-9950
DOIs	https://doi.org/10.1103/PhysRevB.40.1990
Publication status	Published - 1989

Bibliographical note

Copyright (1989) by the American Physical Society.

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10.1103/PhysRevB.40.1990

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http://link.aps.org/doi/10.1103/PhysRevB.40.1990

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title = "Multiple deuterium occupancy of vacancies in Pd and related metals",

abstract = "The binding energies of up to six deuterium atoms into monovacancies of Pd, Ni, Fe, Cu, Nb, and Mo have been calculated using the effective-medium theory. For all metals it is found that at least six D atoms can be accommodated in the vacancy. Of the systems studied the deuterium-deuterium interaction is found to be least repulsive for Pd. This multiple occupancy of the vacancy defect can have potentially significant implications for the recently proposed fusion of D atoms in Pd.",

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AU - Nordlander, P.

AU - Nørskov, Jens Kehlet

AU - Besenbacher, F.

AU - Myers, S. M.

PY - 1989

Y1 - 1989

N2 - The binding energies of up to six deuterium atoms into monovacancies of Pd, Ni, Fe, Cu, Nb, and Mo have been calculated using the effective-medium theory. For all metals it is found that at least six D atoms can be accommodated in the vacancy. Of the systems studied the deuterium-deuterium interaction is found to be least repulsive for Pd. This multiple occupancy of the vacancy defect can have potentially significant implications for the recently proposed fusion of D atoms in Pd.

AB - The binding energies of up to six deuterium atoms into monovacancies of Pd, Ni, Fe, Cu, Nb, and Mo have been calculated using the effective-medium theory. For all metals it is found that at least six D atoms can be accommodated in the vacancy. Of the systems studied the deuterium-deuterium interaction is found to be least repulsive for Pd. This multiple occupancy of the vacancy defect can have potentially significant implications for the recently proposed fusion of D atoms in Pd.

U2 - 10.1103/PhysRevB.40.1990

DO - 10.1103/PhysRevB.40.1990

M3 - Journal article

VL - 40

SP - 1990

EP - 1992

JO - Physical Review B (Condensed Matter and Materials Physics)

JF - Physical Review B (Condensed Matter and Materials Physics)

SN - 1098-0121

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