Comparative study on transport properties of N-, P-, and As-doped SiC nanowires: Calculated based on first principles

According to the one-dimensional quantum state distribution, carrier scattering, and fixed range hopping model, the structural stability and electron transport properties of N-, P-, and As-doped SiC nanowires (N-SiCNWs, P-SiCNWs, and As-SiCNWs) are simulated by using the first principles calculations. The results show that the lattice structure of N-SiCNWs is the most stable in the lattice structures of the above three kinds of doped SiCNWs. At room temperature, for unpassivated SiCNWs, the doping effect of P and As are better than that of N. After passivation, the conductivities of all doped SiCNWs increase by approximately two orders of magnitude. The N-SiCNW has the lowest conductivity. In addition, the N-, P-, As-doped SiCNWs before and after passivation have the same conductivity-temperature characteristics, that is, above room temperature, the conductivity values of the doped SiCNWs all increase with temperature increasing. These results contribute to the electronic application of nanodevices.