A first principles study of novel one-dimensional organic half-metal vanadium-cyclooctatetraene wire

Abstract

The structural, electronic, and magnetic properties of one-dimensional vanadium-cyclooctatetraene[(V-COT)]∞ wire and sandwich clusters are investigated by means of density functional theory. It is found that the (V-COT)∞ SMW is half-metallic. Through the spin transportation calculations, the system for V-COT clusters coupled to gold electrodes performs nearly perfect spin filters. In addition, the I-V curve shows obviously negative differential resistance effects. These results suggest the potential applications of (V-COT)∞ in spintronics.