TY - JOUR
T1 - Carrier-tunable magnetic ordering in vanadium-naphthalene sandwich nanowires
AU - Zhang, Zhuhua
AU - Wu, Xiaojun
AU - Guo, Wanlin
AU - Zeng, Xiao Cheng
N1 - Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].
PY - 2010/8/4
Y1 - 2010/8/4
N2 - 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. © 2010 American Chemical Society.
AB - 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. © 2010 American Chemical Society.
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U2 - 10.1021/ja1029057
DO - 10.1021/ja1029057
M3 - RGC 21 - Publication in refereed journal
SN - 0002-7863
VL - 132
SP - 10215
EP - 10217
JO - Journal of the American Chemical Society
JF - Journal of the American Chemical Society
IS - 30
ER -