Effect of defective structure taking on the electronic and optical properties of InP nanowire

The effect of defective structure taking on the electronic and optical properties of InP nanowire has been investigated. The substitutional and the interstitial doping (XIn, XP, Xin, X = Zn, Ga, Ge, As, Se) are considered as the defective structures. The results suggested that ZnIn and GaIn doping induce acceptor levels. GeIn, AsIn and SeIn doping induce donor levels. The Gain, Gein, Asin and Sein doping induce both donor and acceptor levels, which formed a bridge effect of impurity bands and an orbital hybridization. The absorptive spectra implied that their optical absorption appears an enhanced trend after XIn and XP doping in the subsurface layer meanwhile the absorption of XIn and XP doping in the core layer are lower than that of original InP nanowire. Therefore, the absorptive property can be improved by XIn and XP doping in the subsurface layer or by Xin interstitial doping.