Calculation of the shape of the potential well ofMn2+in SrCl2

The shape of the potential energy well of ${\mathrm{Mn}}^{2+}$ as an impurity in Sr${\mathrm{Cl}}_2$ has been calculated, using the method of Wilson et al. for a polarizable-point-ion model. For these calculations the parameters of the Born repulsion potential $B\exp (-\frac{r}{\rho })$ have been derived for the Sr-Cl and Mn-Cl interaction. It has been shown that the potential energy varies less than 0.01 eV over distances of 0.3, 0.5, and 0.4 Å along $〈100〉$, $〈111〉$, and $〈110〉$, respectively. This result is in agreement with experiment.