2003/04/02 by Tomoya Ono, Shigeru Tsukamoto, Kikuji Hirose
Engineering · Physics and Astronomy · #Molecular Junctions and Nanostructures #Semiconductor materials and devices #Surface and Thin Film Phenomena #cond-mat
paper · pdf · doi:10.1063/1.1586459
published as Appl. Phys. Lett. 82, 4570 (2003) · 9 pages
arxiv created 2003/04/02 · openalex publication_date 2003/06/19 · arxiv updated 2009/11/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
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 structural optimizations. We obtain an unusual result that a three-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 five-atom nanowire exhibits ferromagnetic ordering, where three central atoms form a spin-polarized trimer. Moreover, in the case of an eight-atom nanowire, the middle atoms in the nanowire form two spin-polarized trimers with antiferromagnetic ordering.