Hydrogen passivation of nitrogen in SiC

First-principles calculations carried out in 4H-SiC show that hydrogen may form stable complexes with substitutional nitrogen, passivating the shallow nitrogen donor. The complex is very stable with respect to isolated positive donors and negatively charged hydrogen interstitials, so reactivation is expected only at high temperature. The binding energy also increases the concentration of hydrogen, incorporated into 4H-SiC during growth or postgrowth hydrogenation. (C) 2003 American Institute of Physics.