Abstract
We investigate the atomic structures and scanning-tunneling-microscopy (STM) images of oxygen adsorption on the Si(001) surface. Here, three (meta)stable sites for atomic adsorption are discussed: a backbond of down dimer atom, a dimer-bridge, and an on-dimer site. For this study, the first-principles molecular-dynamics method incorporating the ultrasoft pseudopotential scheme is applied. The oxygen gives a surface structure characteristic of the adsorption site. In particular, the Si-O-Si complex at the dimer-bridge site buckles so as to mimic the original dimer. In the filled states, the STM images for the backbond and the dimer-bridge site appear very similar. In contrast, the empty-states images show characteristic features of the oxygen site.
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.
