Tuning anisotropic electronic transport properties of phosphorene via substitutional doping

Abstract

Using first-principles calculations, we studied the anisotropic electronic transport properties of pristine and X-doped phosphorene (X = B, Al, Ga, C, Si, Ge, N, As, O, S, and Se atoms). The results show that doping different elements can induce obviously different electronic transport characteristics. Moreover, isovalent doping maintains semiconducting characteristics and anisotropic transport properties, while group IV and VI atoms doping can induce metal properties. Meanwhile, Al and Ga substituting P decrease the anisotropic behaviors of transport, and other atom doping still preserves anisotropic characteristics. Interestingly, obvious negative differential resistance behaviors can be observed in C, Si, Ge, O, S, and Se-doped phosphorene.