The tight-binding theory calculations within Harrison bonding orbital metho
d has been carried out for substitutional impurities of group III-V in beta
-SiC. The obtained results of atomic displacements, the chemical and defor
mation contributions to bond energy change have allowed to estimate theoret
ically lattice parameter dependence on impurity concentration, and solubili
ty limits of impurities in SiC at both equilibrium and non-equilibrium cond
itions with regard of the growth surface. The predicted values agree well w
ith experimental data. (C) 2001 Elsevier Science B.V. All rights reserved.