Abstract
We study the adsorption and diffusion of foreign atoms with different valences (K, Mg, Ga, Ge) on the reconstructed Si(111) surface using density functional theory total-energy calculations. We find that the stable adsorption sites for all the adsorbate atoms considered are high-coordination surface sites (T 4-type, H 3-type or B 2-type) rather than the surface dangling bond sites (T 1 or adatom T 4 site) as might have been expected from simple bond-counting arguments. We also examine the surface diffusion paths and find that the adsorbate atoms, depending on their interaction with the surface, experience certain restrictions in their motion which we refer to as “intermittent diffusion”. These results help elucidate a number of experimental observations.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
