title: H atom adsorption and diffusion on Si(110)-(1×1) and (2×1) surfaces.
abstract: We present a periodic density-functional study of hydrogen adsorption and diffusion on the Si(110)-(1×1) and (2×1) surfaces, and identify a local reconstruction that stabilizes the clean Si(110)-(1×1) by 0.51 eV. Hydrogen saturates the dangling bonds of surface Si atoms on both reconstructions and the different structures can be identified from their simulated scanning tunneling microscopy/current image tunneling spectroscopy (STM/CITS) images. Hydrogen diffusion on both reconstructions will proceed preferentially along zigzag rows, in between two adjacent rows. The mobility of the hydrogen atom is higher on the (2×1) reconstruction. Diffusion of a hydrogen vacancy on a monohydride Si(110) surface will proceed along one zigzag row and is slightly more difficult (0.2 eV and 0.6 eV on (1×1) and (2×1), respectively) than hydrogen atom diffusion on the clean surface.
authors.affiliation: London Centre for Nanotechnology, University College London, London, United Kingdom. v.brazdova@ucl.ac.uk
authors.forename: Veronika
authors.initials: V
authors.lastname: Brázdová
authors.forename: David R
authors.initials: DR
authors.lastname: Bowler