Multifunctional molecular spintronic device based on zigzag-edged trigonal graphene: A first-principles study

Abstract

A zigzag-edged trigonal graphene (ZTG)-based molecular spintronic device is proposed and its spin-polarized transport properties are investigated using a first-principles method based on density functional theory in conjunction with nonequilibrium Green's function technique. Multiple high-efficiency physical effects, including spin-filtering, giant magnetoresistance, spin-rectifying and low-bias voltage negative differential resistance effects, are observed in the proposed system. The underlying mechanisms are analyzed by the bias voltage-dependent spin-resolved transmission spectra, projected density of states and local density of states. The results indicate that the proposed system has great potential in developing high-performance multifunctional molecular spintronic devices.