On the possibility of a forecast for off-centre configuration of Ag+ and Cu+ in alkali halide crystals
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The simple cut criterion based on the accurate determination of the radii of the ions in alkali halides and previously introduced by the authors for forecasting off-centre configuration of Li+ and F− has been extended to heavy ions (Ag+ and Cu+). It has been found that this criterion is valid for the Ag+ ion, whereas for Cu+ gives a less precise forecast because of the lack in knowledge of the effective partial charge on Cu+ ion. It has been evidenced that the critical value of the ratior + * /r + between impurity and host ion radius which allows off-centre configuration is dependent on the impurity ion mass.
PACS 61.70Defects in crystals
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