Abstract
The adsorption of antimony on the (1 1 0), (1 0 0) and (1 1 1) surfaces of Cu has been studied using gradient-corrected density-functional calculations. Our calculations showed that all the surfaces are active for Sb adsorption and surface alloys are formed in which Sb atoms substitute Cu atom in the outermost layer, in excellent agreement with experiments. The vacancy formation energy for (1 1 0) surface is found to be the smallest and the Sb/Cu(1 1 0) c(2 × 2) surface alloy turns out to be energetically the most favorable. Our results are found to agree well with the available experimental and theoretical work.
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.
