A Local View of Bonding and Diffusion at Metal Surfaces

  • Peter J. Feibelman
Part of the NATO ASI Series book series (NSSB, volume 360)


First-principles density functional calculations and corresponding experimental results underline the importance of basic chemical concepts, such as coordination, valence saturation and promotion-hybridization energetics, in understanding bonding and diffusion of atoms at and on metal surfaces. Several examples are reviewed, including outer-layer relaxations of clean hcp(0001) surfaces, liquid-metal-embrittlement energetics, separation energies of metal-adatom dimers, concerted substitutional self-diffusion on fcc(001) surfaces, and adsorption and diffusion barrier sites for adatoms near steps.


Surface Atom Local Density Approximation Step Edge Liquid Metal Embrittlement Transition Geometry 
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Copyright information

© Springer Science+Business Media New York 1997

Authors and Affiliations

  • Peter J. Feibelman
    • 1
  1. 1.Sandia National LaboratoriesAlbuquerqueUSA

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