Transition-metal-atom-embedded graphane and its spintronic device applications

Abstract

First-principles calculations are implemented to investigate the electronic and magnetic properties of transition-metal (TM)-atom-embedded graphanes. We find that most of the configurations possess magnetic ground states that have larger magnetic moments compared to embedding TM atoms in graphenes. Furthermore, the various magnetic moments can be generated by tailoring the different dopants. We also design a heterojunction structure with nickel- and vanadium-embedded graphanes in order to manipulate the spin currents. Due to the materials unique characteristics, the spin-down current can be totally suppressed while the spin-up current appears under a negative bias voltage, resulting in a perfect spin filter and spin current diode. Such properties imply promising potential applications in graphane-based nanodevices and spintronics. © 2011 American Chemical Society.