Novel one-dimensional organometallic half metals: vanadium-cyclopentadienyl, vanadium-cyclopentadienyl-benzene, and vanadium-anthracene wires.
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.
Wang
Lu
L
State Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871, Peoples Republic of China.
Cai
Zixing
Z
Wang
Junyu
J
Lu
Jing
J
Luo
Guangfu
G
Lai
Lin
L
Zhou
Jing
J
Qin
Rui
R
Gao
Zhengxiang
Z
Yu
Dapeng
D
Li
Guangping
G
Mei
Wai Ning
WN
Sanvito
Stefano
S