Abstract
On the basis of electronic structure calculations, we show that the long range Coulomb interaction provides the driving mechanism for oxygen overlayer formation on Cu(001). We illustrate that this interaction in the precursor c(2 x 2) phase induces a missing row reconstruction of Cu(001), and leads to the (2sqrt[2] x sqrt[2])R45 degrees O structure, which has strong covalent pO-dCu coupling. For the c(2 x 2)O overlayer on Ni(001) and Cu(001), we show that pO-dNi bonding is larger than pO-dCu and serves to neutralize the perturbation of the Coulomb interaction induced by the O overlayer. Consequently, c(2 x 2)O/Ni(001)) is stable while c(2 x 2)O/Cu(001) exists only in limited environments.
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.
