Lowest-order approximations to the relaxation volumes of substitutional point defects in body-centered cubic transition metals were calculated by differentiating expressions for the point defect formation energy with respect to the lattice constant. The expressions for the formation energy were deduced by using embedded-atom methods. The results were found to be in good agreement with reported semi-empirically estimated size factors.

P.Streitenberger, T.Blumreiter: Philosophical Magazine Letters, 1996, 74[5], 345-50