P. Streitenberger et T. Blumreiter, RELAXATION VOLUME OF SUBSTITUTIONAL POINT-DEFECTS IN CUBIC METALS FROM ANALYTIC EMBEDDED-ATOM POTENTIALS, Philosophical magazine letters, 74(5), 1996, pp. 345-350
Lowest-order approximations to the relaxation volume of substitutional
point defects in some bce transition metals have been calculated by d
ifferentiating expressions for the point defect formation energy with
respect to the lattice constant. The expressions for the formation ene
rgy are derived from the embedded-atom method. The results show good a
greement with semiempirically obtained size factors found in the liter
ature.