A Local View of Bonding and Diffusion at Metal Surfaces [chapter]

Peter J. Feibelman
1997 Surface Diffusion  
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 difision of atoms at and on metal suqaces. 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
more » ... difision on fcc(001) surfaces, and adsorption and difSusion barrier sites for adatoms near steps. h -1 -
doi:10.1007/978-1-4899-0262-7_2 fatcat:x6aj6k4xfffjbhvxwoxq43cnde