Carrier-Tunable Magnetic Ordering in Vanadium−Naphthalene Sandwich Nanowires

摘要

We report results of first-principles calculation of novel NpTM₂ (Np = naphthalene; TM = V, Mn, Ti, Nb) sandwich nanowires. Most importantly, we find that the magnetic ordering in the NpV₂ nanowire can be adjusted by changing its charge state. Its intrinsic antiferromagnetic ordering can be switched to ferromagnetic ordering by injecting electrons, whereas injecting holes to the nanowire can further stabilize the antiferromagnetic state. This carrier-tunable magnetic ordering appears to be unique to the NpV₂ nanowire. Moreover, we find that the bonding between the two nearest-neighbor metal atoms plays a key role in controlling the magnetic coupling of charge-neutral NpTM₂ nanowires. We predict that the NpMn₂ nanowire is ferromagnetic while the NpTi₂ and NpNb₂ nanowires are antiferromagnetic.