Impact of Inversion Domain Boundaries on the Electronic Properties of 3C‐SiC

Inversion domain boundaries are extended defects affecting cubic silicon carbide (3C-SiC) layers grown on the on-axis (001) Si wafers. Their impact on the device performance is still debated and a clear connection to their electronic properties at the atomistic scale is still missing. By comparing the first-principles atomistic models and scanning transmission electron microscopy imaging, the most relevant structures of inversion domain boundaries laying both in the {110} and {111} planes are identified. Their calculated electronic structures shed light on the relevance that these extended defects may have in the degradation of the performances of the 3C-SiC devices.