title: Novel one-dimensional organometallic half metals: vanadium-cyclopentadienyl, vanadium-cyclopentadienyl-benzene, and vanadium-anthracene wires.
abstract: By using the density functional theory, we find that organometallic multidecker sandwich clusters V(2 n+1)Cp(2 n+2), Vn(FeCp2)(n+1) (Cp=cyclopentadienyl), and V(2n)Ant(n+1) (Ant=anthracene) may have linear structures, and their total magnetic moments generally increase with the cluster size. The one-dimensional (VCp)infinity, (VBzVCp)infinity (Bz=benzene), and (V2Ant)infinity wires are predicted to be ferromagnetic half-metals, while the one-dimensional (VCpFeCp)infinity wire is a ferromagnetic semiconductor. The spin transportation calculations show that the finite V2(n+1)Cp2(n+2) and Vn(FeCp2)(n+1) sandwich clusters coupled to gold electrodes are nearly perfect spin-filters.
authors.affiliation: State Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871, Peoples Republic of China.
authors.forename: Lu
authors.initials: L
authors.lastname: Wang
authors.forename: Zixing
authors.initials: Z
authors.lastname: Cai
authors.forename: Junyu
authors.initials: J
authors.lastname: Wang
authors.forename: Jing
authors.initials: J
authors.lastname: Lu
authors.forename: Guangfu
authors.initials: G
authors.lastname: Luo
authors.forename: Lin
authors.initials: L
authors.lastname: Lai
authors.forename: Jing
authors.initials: J
authors.lastname: Zhou
authors.forename: Rui
authors.initials: R
authors.lastname: Qin
authors.forename: Zhengxiang
authors.initials: Z
authors.lastname: Gao
authors.forename: Dapeng
authors.initials: D
authors.lastname: Yu
authors.forename: Guangping
authors.initials: G
authors.lastname: Li
authors.forename: Wai Ning
authors.initials: WN
authors.lastname: Mei
authors.forename: Stefano
authors.initials: S
authors.lastname: Sanvito