화학공학소재연구정보센터
Materials Science Forum, Vol.433-4, 515-518, 2002
A simple model of 3d impurities in cubic silicon carbide
A semiempirical tight-binding theoretical description of substitutional transition-metal ions in silicon carbide is presented. The self-consistent calculations show that two types of the impurity-induced levels coexist in the bandgap and demonstrate apparently opposite behaviors. The energies of charge states are determined, allowing in several cases direct comparison with experiments.