Effects of edge hydrogenation and Si doping on spin-dependent electronic transport properties of armchair boron–phosphorous nanoribbons**Project supported by the National Natural Science Foundation of China (Grant No. 21673296), the Hunan Provincial Natural Science Foundation of China (Grant No. 2018JJ2481), and the Fundamental Research Funds for the Central Universities of Central South University, China (Grant No. 2018zzts328).

Abstract

In this article, the spin-dependent electronic and transport properties of the armchair boron–phosphorous nanoribbons (ABPNRs) are mainly studied by using the non-equilibrium Green function method combined with the spin-polarized density function theory. Our calculated electronic structures indicate that the edge hydrogenated ABPNRs exhibit a ferromagnetic bipolar magnetic semiconductor property, and that the Si atom doping can make ABPNRs convert into up-spin dominated half metal. The spin-resolved transport property results show that the doped devices can realize 100% spin-filtering function, and that the interesting negative differential resistance phenomenon can be observed. Our calculations suggest that the ABPNRs can be constructed as a spin heterojunction by introducing Si doping partially, and it would be used as a spin-diode for nano-spintronics in future.