Ab initio simulations of homoepitaxial SiC growth

Phys Rev Lett. 2003 Sep 26;91(13):136101. doi: 10.1103/PhysRevLett.91.136101. Epub 2003 Sep 23.

Abstract

We present first-principle calculations on the initial stages of SiC homoepitaxial growth on the beta-SiC(111)-(sqrt[3]xsqrt[3]) surface. We show that the nonstoichiometric reconstruction plays a relevant role in favoring the attainment of high-quality films. The motivation is twofold: On one hand, we find that the reconstruction controls the kinetics of adatom incorporation; on the other hand, we observe that the energy gain upon surface stability can induce the reorganization of the deposited material into a crystalline structure, thus revealing that a surface-driven mechanism is able to stabilize defect-free layer deposition on Si-rich surfaces.