Abstract
AbstractThe relationship between the zero‐field splitting parameter D and the C3v crystalline potential components for Mn2+ ions is established by using the parametrization d‐orbital theory proposed by Zhao et al. The pressure dependence of D of Mn2+ in Na2ZnCl4 · 3 H2O is calculated. The results agree well with the values measured experimentally indicate that the D‐value increase with increasing pressure is caused most dominately by changing in the angle θ and next by the change in the bond length R under pressure.
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