title: Iron-phthalocyanine molecular junction with high spin filter efficiency and negative differential resistance.
abstract: We investigate the spin transport properties of iron-phthalocyanine (FePc) molecule sandwiched between two N-doped graphene nanoribbons (GNRs) based on the density functional theory and nonequilibrium Green's function methods. Our calculated results clearly reveal that the FePc molecular junction has high spin-filter efficiency as well as negative differential resistance (NDR). The zero-bias conductance through FePc molecule is dominated by the spin-down electrons, and the observed NDR originates from the bias-dependent effective coupling between the FePc molecular orbitals and the narrow density of states of electrodes. The remarkable high spin-filter efficiency and NDR are robust regardless of the edge shape and the width of GNRs, and the N-doping site in GNRs. These predictions indicate that FePc junction holds great promise in molecular electronics and spintronics applications.
authors.affiliation: School of Materials and Chemical Engineering, Anhui University of Architecture, Hefei, Anhui 230022, People's Republic of China.
authors.forename: Jing
authors.initials: J
authors.lastname: Huang
authors.forename: Ke
authors.initials: K
authors.lastname: Xu
authors.forename: Shulai
authors.initials: S
authors.lastname: Lei
authors.forename: Haibin
authors.initials: H
authors.lastname: Su
authors.forename: Shangfeng
authors.initials: S
authors.lastname: Yang
authors.forename: Qunxiang
authors.initials: Q
authors.lastname: Li
authors.forename: Jinlong
authors.initials: J
authors.lastname: Yang