Atomistic Simulation of SiC Growth at the SiC(0001)/Si1-XCx Interface by the Monte Carlo Method
We developed the computer simulation method to study growth of SiC at the SiC(0001)/Si1-xCx interface based on the Monte Carlo method. Energy is calculated by using the Tersoff potential and the lattice spacing is sub-divided to enable the structural relaxation in a dicrete manner. Before making an attempt for the atomic difusion via the species exchange process in the Metropolis alogrithm, local relaxation is carried out to locate atoms at the local minima of the potential surface. Then, parallel computation is carried out to thermally equilibrate a system.
Edouard V. Monakhov, Tamás Hornos and Bengt. G. Svensson
M. Itoh et al., "Atomistic Simulation of SiC Growth at the SiC(0001)/Si1-XCx Interface by the Monte Carlo Method", Materials Science Forum, Vols. 679-680, pp. 87-90, 2011