Comparison of models that interconnect point defect parameters in solids with bulk properties

Two models have been proposed for the interconnection of the defect Gibbs energy gi with bulk properties almost 60 and 30years ago, respectively. The one, proposed by Zener [J. Appl. Phys. 22, 372 (1951)], assumes that gi can account for the work that goes into straining the lattice and hence that it is proportional to the shear modulus of the solid. The other considers that since gi corresponds to an isobaric and isothermal process, it should be proportional to the isothermal bulk modulus and the mean volume per atom. The results of these two models are compared for different processes (defect formation, self-diffusion activation, and heterodiffusion) in a variety of solids including metals (fcc, bcc, and tetragonal) as well as solids that exhibit a superionic behavior. We find that the latter model does better than the former.