The interatomic potentials across metal/SiC(111) interfaces were derived from ab initio adhesive energies by an inversion method. These potentials were used to investigate the structures, energies and Burgers vectors of misfit dislocations in metal/SiC(111) interfaces. Two kinds of interfacial dislocations were found in M/SiC(111) (M = Au, Ag, Al, Pt) interfaces, where the M/SiC(111) (M = Au, Al) system had partial dislocations and the M/SiC(111) (M = Ag, Pt) system had perfect dislocations. The former had a coherent interface while the latter corresponded to a semi-coherent interface.

Atomistic Study of Misfit Dislocation in Metal/SiC(111) Interfaces. Y.Wang, N.Chen: Journal of Physics - Condensed Matter, 2010, 22[13], 135009