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Gold adatoms and dimers on relaxed graphite surfaces

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journal contribution
posted on 12.05.2006 by G.M. Wang, J.J. BelBruno, Steven Kenny, Roger Smith
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.

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  • Science

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  • Mathematical Sciences

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427858 bytes

Citation

WANG, G.M. ... et al, 2004. Gold adatoms and dimers on relaxed graphite surfaces. Physical Review B, 69(19), pp. 195412

Publisher

© American Physical Society

Publication date

2004

Notes

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

0163-1829

Language

en

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