Pressure Induced Structural Phase Transition in SiC.

Silicon carbide (SiC) is an excellent ceramic material which exists in several polytypes. In this work, we obtained the structural properties of the ambient Zinc-Blende and high pressure Rock-Salt structures of SiC from density functional theory (DFT). We studied the structural phase transition occurring under compression using Debye Gruneisen theory based on scaled binding energy model. We observed excellent agreement of our predicted 300 K isotherm for SiC with experimental data. [ABSTRACT FROM AUTHOR]