Phosphorus-related deep donor in SiC

Two phosphorus centers in SiC, an isolated P atom substituting for Si (P-Si ) and a Si-site P-atom adjacent to a carbon vacancy (P-Si + V-C) are invest igated by first principle calculations. It is shown that P-Si + V-C produce s a singly occupied donor level which lies deeper than that of P-Si but abo ve the double donor level of Ve. The calculated spin distribution indicates that the P-related paramagnetic resonance signals, P-1,P-2 and P-V, origin ate from this complex.