[16p-PA05-1~3] 15.6 Group IV Compound Semiconductors (SiC)

[16p-PA05-1] Fundamental analysis of the effect of excess electrons and holes on the stability of SiC polytypes and stacking faults using first-principles calculations

〇Hiroki Sakakima¹, Satoshi Izumi¹ (1.Univ. of Tokyo)

Keywords:SiC, polytypes, first-principles calculation

For theoretical modeling of spontaneous stacking fault expansion, which is the cause of bipolar degradation phenomena in SiC devices, the quantitative relationship between the structural stacking fault energy and the electric energy gain due to the QWA effect is crucial. However, there is a gap between first-principles calculations and experimental estimates of the energy of single Shockley stacking faults. Recently, it has been reported that the presence of extra electrons and holes can change mechanical material properties such as pressure-induced phase transitions and elastic modulus, and may also affect the structural features of SiC crystals. In this study, as a fundamental investigation, we estimated the effects of the excess electrons and holes on the structural stability and stacking fault energy of SiC crystal polytypes using first-principles calculations.