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

2001/03/19 by A. Ayuela, Hannes Raebiger, H. Räbiger +2 · 2 citations
Physics and Astronomy · #Magnetic properties of thin films #Quantum and electron transport phenomena #Surface and Thin Film Phenomena #cond-mat.mtrl-sci

paper · pdf · doi:10.1103/physrevb.66.035417

submitted to PHys. Rev. B

arxiv created 2001/03/19 · openalex publication_date 2002/07/26 · arxiv updated 2009/11/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

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.

Citations

• Special points for Brillouin-zone integrations
• Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set
• Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
• Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

Cited by

• A coherent relation between structure and conduction of infinite atomic wires
• Magnetism in Atomic-Size Palladium Contacts and Nanowires