Charge redistribution in the formation of one-dimensional lithium wires on Cu(001)

Huang, C., Fratesi, G., MacLaren, D.A. , Luo, W., Brivio, G.P. and Allison, W. (2010) Charge redistribution in the formation of one-dimensional lithium wires on Cu(001). Physical Review B, 82(8), 081413. (doi: 10.1103/PhysRevB.82.081413)

Abstract

We describe the formation of one-dimensional lithium wires on a Cu(001) substrate, providing an atomic-scale description of the onset of metallization in this prototypical adsorption system. A combination of helium atom scattering and density-functional theory reveals pronounced changes in the electronic charge distribution on the formation of the c(5√2×√2)R45° Li/Cu(001) structure, as in-plane bonds are created. Charge donation from Li-substrate bonds is found to facilitate the formation of stable, bonded, and depolarized chains of Li adatoms that coexist with an interleaved phase of independent adatoms. The resultant overlayer has a commensurate charge distribution and lattice modulations but differs fundamentally from structurally similar charge-density wave systems.

• Item Type: Articles
• Status: Published
• Refereed: Yes
• Glasgow Author(s) Enlighten ID: MacLaren, Professor Donald
• Authors: Huang, C., Fratesi, G., MacLaren, D.A., Luo, W., Brivio, G.P., and Allison, W.
• Subjects: Q Science > QC Physics
• College/School: College of Science and Engineering > School of Physics and Astronomy
• Journal Name: Physical Review B
• Publisher: American Physical Society
• ISSN: 1098-0121
• ISSN (Online): 1550-235X
• Published Online: 26 August 2010
• Copyright Holders: Copyright © 2010 American Physical Society
• First Published: First published in Physical Review B 82(8):081413
• Publisher Policy: Reproduced in accordance with the copyright policy of the publisher