1989
DOI: 10.1007/bf02450552
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A simple criterion for forecasting off-centre configuration of monovalent impurity ions in alkali halide crystals

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1989
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Cited by 10 publications
(10 citation statements)
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“…In this context we want to stress that the cut Z values we found previously [4] for Li § and F-(in this case z = r*/r_) are lower: Li § and F-are off-centre when Z < 0.59 and when X < 0.66, respectively (approximation B)). As a consequence, we should be compelled to the conclusion that the cut criterion is not univocal for all the impurities.…”
Section: Pacs 6170 -Defects In Crystalsmentioning
confidence: 95%
See 3 more Smart Citations
“…In this context we want to stress that the cut Z values we found previously [4] for Li § and F-(in this case z = r*/r_) are lower: Li § and F-are off-centre when Z < 0.59 and when X < 0.66, respectively (approximation B)). As a consequence, we should be compelled to the conclusion that the cut criterion is not univocal for all the impurities.…”
Section: Pacs 6170 -Defects In Crystalsmentioning
confidence: 95%
“…As in previous work [4] we want to stress that, on the basis of the definition itself of partial charge, it is not clear which value for the impurity radius we must adopt; nevertheless we have preferred approximation B), since we think simply that the impurity ion should tend to assume the 8 value of the host crystal because the influence of the partial charge placed on many nearest-neighbour ions prevails over that due to a single (impurity) ion.…”
Section: Pacs 6170 -Defects In Crystalsmentioning
confidence: 96%
See 2 more Smart Citations
“…Actually, in a preliminary paper [5] we derived a simple criterion for forecasting off-centre configuration in the ground state of light monovalent (Li +, F-) impurity ions in alkali halide crystals based on the effect that the Sanderson partial charges on atoms have on their radii.…”
mentioning
confidence: 99%