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Calculation of Self‐Interstitial Formation Energy (Both Split and Non‐Split) in Noble Metals
Author(s) -
Bandyopadhyay A. K.,
Sen S. K.
Publication year - 1990
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221570204
Subject(s) - pseudopotential , copper , materials science , energy (signal processing) , condensed matter physics , atomic physics , thermodynamics , physics , metallurgy , quantum mechanics
The energy of formation of different interstitial configurations in f.c.c. metals using pseudopotential approach is formulated. A model calculation is done with a Ashcroft‐Hubbard model potential for copper, silver, and gold. The calculation is indicates that the (100) split configuration is most stable and has a minimum energy which is consistent with other theoretical predictions and experimental observations.