Mn-L-based multifunctional molecular spintronic device: A first-principles investigation

Abstract

A transition metal coordination complex Mn-L-based multifunctional molecular spintronic device is proposed and its spin-polarized transport properties in two magnetic configurations (parallel and anti-parallel alignments) are evaluated using the first-principles density functional theory and non-equilibrium Green’s function method. Four high-performance physical effects, including spin-filtering, spin-rectifying, giant magnetoresistance and negative differential resistance, are revealed in the proposed device. The physical mechanisms are analyzed through the spin-resolved bias-dependent transmission spectra, and projected device density of states spectra. These results demonstrate that the proposed system holds great promise in developing the multifunctional molecular spintronic devices.