Spontaneous magnetization of aluminum nanowires deposited on the NaCl(100) surface

A. Ayuela, H. Raebiger, M.J. Puska, R.M. Nieminen

Research output: Contribution to journalArticleScientificpeer-review

33 Citations (Scopus)
129 Downloads (Pure)

Abstract

We investigate electronic structures of Al quantum wires, both unsupported and supported on the (100) NaCl surface, using the density-functional theory. We confirm that unsupported nanowires, constrained to be linear, show magnetization when elongated beyond the equilibrium length. Allowing ions to relax, the wires deform to zigzag structures with lower magnetization but no dimerization occurs. When an Al wire is deposited on the NaCl surface, a zigzag geometry emerges again. The magnetization changes moderately from that for the corresponding unsupported wire. We analyze the findings using electron band structures and simple model wires.
Original languageEnglish
Article number035417
Pages (from-to)1-8
Number of pages8
JournalPhysical Review B
Volume66
Issue number3
DOIs
Publication statusPublished - 26 Jul 2002
MoE publication typeA1 Journal article-refereed

Keywords

  • Density functional theory
  • Electronic structure
  • Magnetism
  • Nanowire

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