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Self‐Interstitials in Normal Metals
Author(s) -
Augst G. R.
Publication year - 1981
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.2221040139
Subject(s) - lattice (music) , vacancy defect , aluminium , ion , relaxation (psychology) , series (stratigraphy) , condensed matter physics , materials science , statistical physics , physics , quantum mechanics , psychology , social psychology , paleontology , acoustics , metallurgy , biology
General expressions describing the formation energy of interstitials of different configurations in simple metals are obtained. The electronic contribution is considered within the framework of pseudopotentials theory and is based on the linear response approximation. To obtain the lattice relaxation energy two terms of the displacement expansion iteration series are calculated. Numerical calculations for aluminium show that the minimum energy corresponds to a 100 dumb‐bell, with the distance of each ion from the vacancy being 0.52 a /2. For interstitials of other configurations the disturbance of the lattice is so strong that the iteration series for the relaxation energy is divergent.