title: Hexagon versus trimer formation in in nanowires on Si(111): energetics and quantum conductance.
abstract: The structural and electronic properties of the quasi-one-dimensional In/Si(111) surface system are calculated from first principles. It is found that the symmetry lowering of the In chains is energetically favorable, provided neighboring nanowires are correlated, giving rise to a doubling of the surface unit cell both along and perpendicular to the chain direction. The recently suggested formation of hexagons within the In nanowires [C. González, F. Flores, and J. Ortega, Phys. Rev. Lett. 96, 136101 (2006)]--in clear contrast to the trimer formation proposed earlier-drastically modifies the electron transport along the In chains, in agreement with experiment.
authors.affiliation: Institut für Festkörpertheorie und -optik, Friedrich-Schiller-Universität, Max-Wien-Platz 1, 07743 Jena, Germany.
authors.forename: A A
authors.initials: AA
authors.lastname: Stekolnikov
authors.forename: K
authors.initials: K
authors.lastname: Seino
authors.forename: F
authors.initials: F
authors.lastname: Bechstedt
authors.forename: S
authors.initials: S
authors.lastname: Wippermann
authors.forename: W G
authors.initials: WG
authors.lastname: Schmidt
authors.forename: A
authors.initials: A
authors.lastname: Calzolari
authors.forename: M Buongiorno
authors.initials: MB
authors.lastname: Nardelli