TY - JOUR
T1 - Magnetism in transition-metal-doped silicon nanotubes
AU - Singh, Abhishek Kumar
AU - Briere, Tina M.
AU - Kumar, Vijay
AU - Kawazoe, Yoshiyuki
PY - 2003/1/1
Y1 - 2003/1/1
N2 - 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.
AB - 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.
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U2 - 10.1103/PhysRevLett.91.146802
DO - 10.1103/PhysRevLett.91.146802
M3 - Article
AN - SCOPUS:0242593306
VL - 91
JO - Physical Review Letters
JF - Physical Review Letters
SN - 0031-9007
IS - 14
ER -