Effect of nitrogen and aluminium on silicon carbide polytype stability

In this study, effects of nitrogen and aluminium dopant on the SiC crystal structure and polytype stability were investigated by density functional theory. With taking account of the stacking energy of additional bilayer, the carbon terminated surface as seed surface with nitrogen doped condition is the only condition of 4H single polytype SiC growth. Under the other conditions, polytype conversion and inclusion might occurre.