Monte carlo studies of ternary semiconductor alloys: application to the si1-x-ygexcy system

Abstract

The structural properties of Si-Ge-C alloys are studied using Monte Carlo simulations. The large size mismatch among the constituents is overcome by introducing atom-identity switches accompanied with neighbor-atom relaxations. A repulsive interaction between carbon atoms is found, so no clustering is observed. No formation of Ge-C bonds is foreseen. The lattice structural parameters show strong deviations from linear behavior.