PhysRevB_69_195412.pdf (417.83 kB)
Download fileGold adatoms and dimers on relaxed graphite surfaces
journal contribution
posted on 2006-05-12, 15:06 authored by G.M. Wang, J.J. BelBruno, Steven KennySteven Kenny, Roger SmithThe 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.
History
School
- Science
Department
- Mathematical Sciences
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427858 bytesCitation
WANG, G.M. ... et al, 2004. Gold adatoms and dimers on relaxed graphite surfaces. Physical Review B, 69(19), pp. 195412Publisher
© American Physical SocietyPublication date
2004Notes
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.ISSN
0163-1829Language
- en