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)

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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
Glasgow Author(s) Enlighten ID:MacLaren, Dr 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 (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

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