First-principles calculations: half-metallic Au-V(Cr) quantum wires as spin filters.
The half-metallic behavior of Au-V(Cr) quantum wires adsorbed on an armchair (5, 5) boron nitride nanotube is obtained by performing spin-polarized density functional calculations. The density of states shows a metallic property at the Fermi level for the majority spin channel and a semiconductor gap in the minority spin channel. The half-metallic behavior of the quantum wire/nanotube complex originates from the half-metallic behavior of the free-standing Au-V(Cr) quantum wires. The calculations of spin-polarized transport indicate that such a one-dimensional half-metallic magnet can be used as a spin filter.
Min
Y
Y
School of Physics, Huazhong University of Science and Technology, Wuhan, PR China. minyi1207@163.com
Yao
K L
KL
Liu
Z L
ZL
Gao
G Y
GY
Cheng
H G
HG
Zhu
S C
SC
D001896:Boron Compounds / Q000737:chemistry*; D002857:Chromium / Q000737:chemistry*; D003198:Computer Simulation; D006046:Gold / Q000737:chemistry*; D046911:Macromolecular Substances / Q000737:chemistry; D008280:Magnetics; D008956:Models, Chemical; D049329:Nanostructures / Q000737:chemistry*; D011789:Quantum Theory; D013113:Spin Labels
D001896:Boron Compounds; D046911:Macromolecular Substances; D013113:Spin Labels; D002857:Chromium; C017282:boron nitride; D006046:Gold