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 |
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Journal | Physical Review B |
Volume | 40 |
Issue number | 3 |
Pages (from-to) | 1990-1992 |
ISSN | 2469-9950 |
DOIs | |
Publication status | Published - 1989 |