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Abstract
We investigate the electric and magnetic properties of a benzene–vanadium complex chain [V(C6H6)]∞. By performing first principles calculation based on the spin-polarized density functional theory, we find that this system shows a half metallic ferromagnetic behavior, i.e., majority-spin (spin-up) electrons have a semiconducting band gap, while minority-spin (spin-down) electrons are metallic. We suggest that this ferromagnetic order is due to a double-exchange mechanism.
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