The impact of doping nitrogen on the electronic structure of 4H-SiC

The electronic structure of the 4H-SiC eigenstates and that of n-type doped 4H-SiC are calculated by the generalized gradient approximation,results show that:compared with the eigenstates,N doped The 4H-SiC conduction's band and valence band move to the low energy end,but the moving extent of conduction band is greater than that of valence band.So the band gap of doped 4H-SiC is smaller than that of eigenstates;conduction band moves into the 2s state and 2p states of N,but they share a small,doping concentration has little impact on the bottom of conduction band;the top of valence band moves into the 2p states of N,with the doping concentration increasing,the top of valence band move to low energy end and band gap Increases.