화학공학소재연구정보센터
Materials Science Forum, Vol.389-3, 577-580, 2002
Theoretical studies of vanadium impurity in beta-SiC
In the present theoretical study the attempt was undertaken to estimate chemical bonding and lattice distortions caused by the vanadium impurity in silicon carbide. The calculation is based on the cluster X-alpha-DV and tight-binding theory within Harrison bonding orbital methods. Results on vanadium are compared with Ti and Ni 3d-impurties. It is found that vanadium atoms can substitute both Si and C and have a local magnetic moment, while Ti and Ni atoms are in the nonmagnetic state.