The Potential Well of Mn2+ in SrCl2
The shape of the potential well of Mn2+ as an impurity in SrCl2 is calculated for low temperatures by means of a polarizablepoint-ion model. The computed well is very flat in the <111>, <100> and <110> directions, in agreement with experimental findings. A major improvement on previous work by van Winsum et al. is the complete absence of a polarization catastrophe in the potential energy calculations.
KeywordsPhysical Review Dipolar Field Fluorite Structure Dipolar Contribution Potential Energy Calculation
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