A theoretical analysis of a relation between atomic and spin-electronic structures for the ground state of single-row aluminum nanowires suspended between Al(001) electrodes is demonstrated using first-principles molecular-dynamics simulations. We obtain a unusual result that a 3-aluminum-atom nanowire sandwiched between the electrodes does not manifest magnetic ordering although an isolated aluminum trimer molecule in a straight line is spin-polarized. On the other hand, a 5-atom nanowire exhibits ferromagnetic ordering, where three central atoms form a spin-polarized trimer. Moreover, in the case of an 8-atom nanowire, the middle atoms in the nanowire form two spin-polarized trimers with antiferromagnetic ordering.
@article{arxiv.cond-mat/0304060,
title = {Magnetic orderings in Al nanowires suspended between electrodes},
author = {Tomoya Ono and Shigeru Tsukamoto and Kikuji Hirose},
journal= {arXiv preprint arXiv:cond-mat/0304060},
year = {2009}
}