TY - JOUR
T1 - Magnetism in transition-metal-doped silicon nanotubes
AU - Singh, Abhishek Kumar
AU - Briere, Tina M.
AU - Kumar, Vijay
AU - Kawazoe, Yoshiyuki
N1 - Funding Information:
The authors thank the staff of the Center for Computational Materials Science at the Institute for Materials Research for the use of the Hitachi SR8000/64 supercomputing facilities. A. K. S. is grateful for the support of Monbusho. V. K. acknowledges support from the Japan Society for the Promotion of Science and the hospitality at the Institute for Materials Research.
PY - 2003
Y1 - 2003
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
SN - 0031-9007
VL - 91
JO - Physical Review Letters
JF - Physical Review Letters
IS - 14
ER -