Magnetism in transition-metal-doped silicon nanotubes

Abhishek Kumar Singh, Tina M. Briere, Vijay Kumar, Yoshiyuki Kawazoe

Research output: Contribution to journalArticlepeer-review

191 Citations (Scopus)


Using first-principles density functional calculations, we show that hexagonal metallic silicon nanotubes can be stabilized by doping with [Formula presented] transition metal atoms. Finite nanotubes doped with Fe and Mn have high local magnetic moments, whereas Co-doped nanotubes have low values and Ni-doped nanotubes are mostly nonmagnetic. The infinite [Formula presented] nanotube is found to be ferromagnetic with nearly the same local magnetic moment on each Fe atom as in bulk iron. Mn-doped nanotubes are antiferromagnetic, but a ferrromagnetic state lies only 0.03 eV higher in energy with a gap in the majority spin bands near the Fermi energy. These materials are interesting for silicon-based spintronic devices and other nanoscale magnetic applications.

Original languageEnglish
JournalPhysical Review Letters
Issue number14
Publication statusPublished - 2003


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