The dislocation-width and Peierls barrier and stress were calculated using an improved Peierls–Nabarro theory. In order to investigate the discreteness correction of a complex lattice quantitatively, a simple dynamics model was used in which the interaction attributed to a variation in bond length and angle was considered. The results showed that the dislocation core and mobility would be corrected significantly by the discrete effect. Another improvement was to consider the contribution of strain energy when evaluating the dislocation energy. When a dislocation moved, both the strain and the misfit energies changed periodically. Their amplitudes were of the same order, but their phases were opposite. Because of these opposite phases, the misfit and strain energies cancelled each other and the resultant Peierls barrier was much smaller than that conventionally given by the misfit energy.

Theoretical Calculation of the Dislocation Width and Peierls Barrier and Stress for Semiconductor Silicon. S.Wang, H.Zhang, X.Wu, R.Liu: Journal of Physics - Condensed Matter, 2010, 22[5], 055801