Dinesh VARSHNEY,Swarna SHRIYA,Sanjay JAIN,Meenu VARSHNEY,R. KHENATA
An effective interionic potential calculation with long range Coulomb, charge transfer interaction, covalency effect, short range overlap repulsion extended, van der Waals interaction, and zero point energy effect is implemented to investigate the pressure dependent structural phase transition (ZnS-type (B3) to NaCl-type (B1) structure), and mechanical, elastic, and thermodynamic properties of silicon carbide (SiC). Both charge transfer interaction and covalency effect are important in reveal...