Doping of phosphorus in chemical-vapor-deposited silicon carbide layers: A theoretical study

Abstract

Ab initio supercell calculations have been carried out to investigate the doping of phosphorus in chemical-vapor-deposited (CVD) silicon carbide (SiC) layers. We simulated the CVD conditions by using the appropriate chemical potentials for hydrogen and phosphorus (P). We find that the site selection of P is not affected by the presence of hydrogen, and hydrogen does not practically passivate the P donors. We find that the most abundant defect is P at the Si-site followed by P at the C-site. The calculated concentrations of the P donors and free carriers in CVD grown SiC agree with the experimental findings.