Carrier-tunable magnetic ordering in vanadium-naphthalene sandwich nanowires

Zhuhua Zhang, Xiaojun Wu, Wanlin Guo, Xiao Cheng Zeng

Research output: Contribution to journalArticlepeer-review

59 Scopus citations


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.

Original languageEnglish (US)
Pages (from-to)10215-10217
Number of pages3
JournalJournal of the American Chemical Society
Issue number30
StatePublished - Aug 4 2010

ASJC Scopus subject areas

  • Catalysis
  • General Chemistry
  • Biochemistry
  • Colloid and Surface Chemistry


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