Multiscale cascade triggered by the Vacancy-Si+C synergy in β-SiC: A first-principles study of electron-structure-dynamics coupling

Key Points

• The study aims to understand how the interaction of vacancies and silicon-carbon creates defects in β-SiC under irradiation.
• Utilized first-principles methods to analyze electron-structure-dynamics coupling.
• Examined the role of vacancy-silicon-carbon synergy in defect formation and behavior.
• Focused on the effects of irradiation on β-SiC.
• Defect accumulation leads to significant swelling and amorphization of β-SiC.
• The synergistic interaction enhances the degradation process compared to single vacancies.
• Irradiation significantly impacts the structure and dynamics of electron states.