Host Materials for 4d(N) and 5d(N) Transition-Metal Ions.

摘要

This report discusses ten compounds which are potential host materials for quadruply ionized elements with 4dn and 5dn electronic configurations. These compounds are ZrSiO4'HfGeO4'Li2ZrTeO6'Li2HfTeO6'Li6BeZrF12'ZrGeO4,ZrGeO8'ThSiO4' and ThGeO4 (in two forms: zircon and scheelite). The crystal-field components, Anm' are calculated for the Zr, Hf, and Th sites in each of the compounds. The site symmetry is S4 or D2d except for Li2XTeO6(X=Zr, Hf) which has C3 symmetry. Approximate parameters, F(k), Bnm(B, C, Dq), are given for the entire quadruply ionized 5dN configuration.