LAUSR

The practical use of 4H-SiC as a semiconductor material alternative to Si has been investigated by several researchers. However, a key challenge impeding its practical implementation is the elimination of killer defects in the epitaxial layer, such as basal plane dislocations (BPDs), which cause bipolar degradations. The conversion of BPDs into threading edge dislocations is crucial to reduce detrimental mobile dislocations. However, their underlying atomistic mechanisms remain unclear. In this study, the effects of the step height and distance from the step on the contraction of BPDs were determined using a reaction pathway analysis. Notably, the step height did not affect the contraction, and the activation energies for the contraction of the partial dislocation pairs with Burgers vectors closed toward the step were 0.4 (C face) and 0.3 eV (Si face) lower than those for expansion. Conversely, for the partial dislocation pairs with Burgers vectors open toward the step, the activation energies for contraction were 0.4 (C face) and 0.2 eV (Si face) higher than those for expansion. Furthermore, the effect of the step diminished when the distance from the step exceeded 3 nm. The results suggest that the steps prevented contraction, and longer terraces reduced this preventive effect. Therefore, a surface morphology with fewer steps and longer terraces would increase the conversion rate. Furthermore, a low-off-angle substrate and surface polishing would increase the conversion rate, whereas step bunching slightly would decrease it. Macrosteps would decrease the conversion rate as the average distance from the surface to BPDs increased.