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

Huang, C., Fratesi, G., Maclaren, D., Luo, W., Brivio, G., & Allison, W. (2010). Charge redistribution in the formation of one-dimensional lithium wires on Cu(001). PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS, 82(8), 1-4 [10.1103/PhysRevB.82.081413].

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

BRIVIO, GIANPAOLO;
2010

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
Si
Articolo in rivista - Articolo scientifico
Scientifica
Surface; adatom; alkali; wire
English
PACS: 73.21.Hb, 68.49.-h, 71.15.Mb, 71.30.+h
Huang, C., Fratesi, G., Maclaren, D., Luo, W., Brivio, G., & Allison, W. (2010). Charge redistribution in the formation of one-dimensional lithium wires on Cu(001). PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS, 82(8), 1-4 [10.1103/PhysRevB.82.081413].
Huang, C; Fratesi, G; Maclaren, D; Luo, W; Brivio, G; Allison, W
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/10281/17351
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