Straight and kinked 90° partial dislocations in diamond and 3C-SiC

Density-functional based calculations are used to investigate low energy core structures of 90degrees partial dislocations in diamond and 3C-SiC. In both materials dislocation glide is analysed in terms of kink formation and migration and the fundamental steps to kink migration are investigated, We find the C terminated core structure in SiC to be more mobile than the Si core. However, the Si partial is electrically active and this opens the possibility of recombination-enhanced glide under ionizing conditions or an enhanced mobility in doped material.