Structural Phase Transformation in SiC and PtC under Pressure

摘要

The study of pressure induced structural phase transition of silicon carbide and platinum carbide which crystallize in zinc blende structure (B3), has been carried out using the well described three body interaction potential model (TBIPM). Our present TBIP model consists of long range Coulombic, three body interaction and the short range overlap repulsive forces operative up to next nearest neighbor ions. These materials exhibit a first order phase transition from their ZnS (B3) to NaCl (B1) structure. The phase transition pressure for SiC and PtC are 94.5 GPa and 50GPa respectively.