title: Spin Polarization Inversion at Benzene-Absorbed Fe4N Surface.
abstract: We report a first-principle study on electronic structure and simulation of the spin-polarized scanning tunneling microscopy graphic of a benzene/Fe(4)N interface. Fe(4)N is a compound ferromagnet suitable for many spintronic applications. We found that, depending on the particular termination schemes and interface configurations, the spin polarization on the benzene surface shows a rich variety of properties ranging from cosine-type oscillation to polarization inversion. Spin-polarization inversion above benzene is resulting from the hybridizations between C p(z) and the out-of-plane d orbitals of Fe atom.
authors.affiliation: Tianjin Key Laboratory of Low Dimensional Materials Physics and Preparation Technology, Faculty of Science, Tianjin University, Tianjin 300072, China.
authors.forename: Qian
authors.initials: Q
authors.lastname: Zhang
authors.affiliation: Tianjin Key Laboratory of Low Dimensional Materials Physics and Preparation Technology, Faculty of Science, Tianjin University, Tianjin 300072, China.
authors.forename: Wenbo
authors.initials: W
authors.lastname: Mi
authors.affiliation: Tianjin Key Laboratory of Film Electronic &Communicate Devices, School of Electronics Information Engineering, Tianjin University of Technology, Tianjin 300384, China.
authors.forename: Xiaocha
authors.initials: X
authors.lastname: Wang
authors.affiliation: Physical Science and Engineering Division, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900, Kingdom of Saudi Arabia.
authors.forename: Xuhui
authors.initials: X
authors.lastname: Wang