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An interatomic potential for copper from the phonon spectra
Author(s) -
van Heugten W. F. W. M.
Publication year - 1978
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.2220860132
Subject(s) - phonon , copper , vacancy defect , dispersion (optics) , interatomic potential , spectral line , condensed matter physics , materials science , molecular physics , potential energy , atomic physics , chemistry , physics , molecular dynamics , computational chemistry , optics , quantum mechanics , metallurgy
A potential function for copper is presented that is derived from phonon dispersion curves. Also some defect calculations are made. The vacancy formation and migration energy are in good agreement with the experiments. The 〈100〉 split interstitial configuration is found to be the most stable one.