Physics – Condensed Matter
Scientific paper
2003-04-02
Appl. Phys. Lett. 82, 4570 (2003)
Physics
Condensed Matter
9 pages
Scientific paper
10.1063/1.1586459
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.
Hirose Kikuji
Ono Tomoya
Tsukamoto Shigeru
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