Effect of Cooling Rate on the Crystal Quality and Crystallization Rate of SiC during Rapid Solidification Based on the Solid–Liquid Model

Abstract

The silicon carbide (SiC) that can achieve better electron concentration and motion control is more suitable for the production of high temperature, high frequency, radiation resistance, and high-power electronic devices. However, the fabrication of the high purity single crystal is challenging, and it is hard to observe the structural details during crystallization. Here, we demonstrate a study of the crystallization of single-crystal SiC by the molecular dynamic simulations. Based on several structure analysis methods, the transition of the solid–liquid SiC interface from a liquid to a zinc-blende structure is theoretically investigated. The results indicate that most of the atoms in the solid–liquid interface begin to crystallize with rapid solidification at low cooling rates, while crystallization does not occur in the system at high cooling rates. As the quenching progresses, the number of system defects decreases, and the distribution is more concentrated in the solid–liquid interface. A maximum crystallization rate is observed for a cooling rate of 1010 K/s. Moreover, when a stronger crystallization effect is observed, the energy is lower, and the system is more stable.