Wu, X.; Wu, Z. - In: The European Physical Journal B - Condensed Matter and … 50 (2006) 4, pp. 521-526
First-principles calculations based on density functional theory were used to study the high-pressure phases of both ZnF<Subscript>2</Subscript> and CdF<Subscript>2</Subscript>. We found that the sequence of the pressure-induced phase transitions is: Rutile (P4<Subscript>2</Subscript>/mnm) ↦ CaCl<Subscript>2</Subscript> (Pnnm) ↦ PdF<Subscript>2</Subscript> (Pa-3) and CaF<Subscript>2</Subscript> (Fm3m) ↦ PbCl<Subscript>2</Subscript> (Pnma) ↦...</subscript></subscript></subscript></subscript></subscript></subscript></subscript></subscript>