Electronic and magnetic properties of iron chains on carbon nanotubes

In this work the structural, electronic and magnetic properties of one-dimensional Fe chains interacting with a semiconductor single-wall carbon nanotube are investigated using first-principles spin-polarized calculations. A systematic study of several configurations of a Fe wire interacting with a nanotube both from outside as well as inside is presented, and the resulting equilibrium distances, binding energies and magnetizations are discussed. The most stable configurations are compared with previous results obtained for a single Fe atom interacting with the tube. (C) 2003 Elsevier Science Ltd. All rights reserved.