2026-07-072026-07-07http://salesiana.dossiersoluciones.com/handle/123456789/137728The high lattice mismatched SiC/Si(001) interface was investigated by means of combined classical and ab initio molecular dynamics. Among the several configurations analyzed, a dislocation network pinned at the interface was found to be the most efficient mechanism for strain relief. A detailed description of the dislocation core is given, and the related electronic properties are discussed for the most stable geometry: we found interface states localized in the gap that may be a source of failure of electronic devices.Materials ScienceAb initio Study of Misfit Dislocations at the SiC/Si(001) Interfacetext