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Please use this identifier to cite or link to this item: https://dspace.lboro.ac.uk/2134/1746

Title: Gold adatoms and dimers on relaxed graphite surfaces
Authors: Wang, G.M.
BelBruno, J.J.
Kenny, Steven D.
Smith, Roger
Issue Date: 2004
Publisher: © American Physical Society
Citation: WANG, G.M. ... et al, 2004. Gold adatoms and dimers on relaxed graphite surfaces. Physical Review B, 69(19), pp. 195412
Abstract: The interaction of deposited gold adatoms and dimers with multilayer relaxed graphite surfaces is investigated through a density functional approach with numerical orbitals and a relativistic core pseudopotential. The energy landscape for a gold adatom along [110] agrees with scanning tunneling microscopy observations including the preferred β binding site for adatoms and the mobility difference between silver and gold adatoms. Deposited particles are shown to induce surface deformation and polarization. Static relaxation and dynamic simulations indicate that the energetically preferred binding orientation for a gold dimer is normal rather than parallel to the graphite surface. The dimer response to a simulated scanning tunneling microscopy tip is investigated by molecular dynamics simulations.
Description: This article was published in the journal, Physical Review B [© American Physical Society]. It is also available at: http://link.aps.org/doi/10.1103/PhysRevB.69.195412.
URI: https://dspace.lboro.ac.uk/2134/1746
ISSN: 0163-1829
Appears in Collections:Published Articles (Maths)

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