The energy versus position of a single Si adatom on a two-dimensionally infinite Al(001) substrate is calculated. The only physical approximations made are the Born-Oppenheimer approximation and the use of a local exchange-correlation potential. Computed binding energies, force constants, and bond charges for two different bonding geometries confirm earlier more approximate calculations for the Si/Al adsorption system.
No takes yet. Share an insight, caveat, or question.
Peter J. Feibelman (1985) studied this question.
Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context: