Polyacene-based spintronic devices modulated by doping with two nitrogen or boron atoms and hydrogenation effects

Abstract

In this study, a series of spintronic devices is designed on the basis of on a pristine (P)/two nitrogen (N) or boron (B) atoms-doped polyacene chain, which is linked to two ferromagnetic zigzag graphene nanoribbons (ZGNRs) with symmetric single hydrogenation (H-ZGNRs-H) or asymmetric double-single hydrogenation (H2-ZGNRs-H). For H-4ZGNRs-H electrodes bridged by P/two N or B atoms-doped polyacene, a negligible/forward or reverse spin-filtering effect is generated under low bias voltages. However, for devices with P/two N or B atoms doped-polyacene sandwiched between H2–4ZGNRs-H and H-4ZGNRs-H, outstanding bichannel spin-filtering (100 %) and dual-orientation giant spin-rectifying (10⁴ or 10^‒4) behavior occur concurrently. In addition, the effect of molecular length, impurity position and types (an NN pair or a BB pair or a BN pair) on the spin transport properties of n-acene-based molecular devices are also investigated.