The interaction energies of vacancies with divalent impurities are. calculated using recently developed efficient computer simulation methods. The results show that nearest neighbour and next nearest neighbour complexes are roughly equally bound, thus emphasising the importance of including both typ
β¦ LIBER β¦
Defect interactions in alkali halides
β Scribed by S. Ramdas; C.N.R. Rao
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- English
- Weight
- 618 KB
- Volume
- 31
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
Pairwix: defect interactions between divaIent cation impurities, ation vauncies and znion vacancies have been studied ~JI the extrinsic and intrinsic temperatire r;lngts TOI -ahe KCI&~+ wstem. Pair correl~tiorr functions have been derived for the various defect interactions distinguished b+ their site symmetries mnd &hex show the existence of associated divaIent cation-cation vacancy and cation-anion vacancy pairs even at high temperatures. Pair formation $vei ~zy to dissocition at low impurity concentrations and hi& temperatures.
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