화학공학소재연구정보센터
Materials Science Forum, Vol.433-4, 491-494, 2002
Theoretical study of antisite aggregation in alpha-SiC
The aggregation of antisites in 4H-SiC has been investigated within the self-consistent charge density-functional based tight-binding (SCC-DFTB) method. We calculated the stability of the aggregates and present mechanisms for their formation during post-implantation annealing, based on vacancy mediation. Formation energies and barriers were calculated taking into account the influence of vibrational entropy at the annealing temperature.