Association energy of divalent and monovalent impurities with edge dislocations in NaCl |
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| Authors: | G. Vlasák M. Hartmanová P. Mrafko |
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| Affiliation: | (1) Department of Earth Sciences, University College London, Gower Street, London, WC1E 6BT, UK;(2) Davy Faraday Research Laboratory, The Royal Institution of GB, 21 Albemarle Street, London, W1S 4BS, UK;(3) Department of Chemistry, Bath University, Bath, BA2 7AY, UK |
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| Abstract: | In the present paper calculations have been made of the association and interaction elastic energies for monovalent cation impurities and divalent cation impurities unassociated and associated with cation vacancies in the form of dipoles with dislocationsa/2 r + + < rCa + + r_{ + + }< r_{Ca^{ + + } } in the compressed region of dislocation, mainly on the dislocationa/2 110 {100}. In the case of divalent impurities associated with cation vacancies in the form of dipoles the increase in impurity concentration can take place at all impurities as in the above mentioned case and additionally Sr++ | | b) | the increase in monovalent impurity concentration (r+>164-01) around dislocations takes place, excepting lithium, in the extended region of the dislocation of both types. Our calculations are compared with the published experimental data. | |
