Atomic and electronic structures of the (root 13 x root 13)R13.9 degrees of silicene sheet on Ag(111)

    Authors

    M. R. Tchalala; H. Enriquez; H. Yildirim; A. Kara; A. J. Mayne; G. Dujardin; M. A. Ali;H. Oughaddou

    Comments

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    Abbreviated Journal Title

    Appl. Surf. Sci.

    Keywords

    Silicene; Si; Ag; STM; Ab initio calculations; DFT; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; BASIS-SET; SURFACE; GRAPHENE; GROWTH; METALS; FILMS; Chemistry, Physical; Materials Science, Coatings & Films; Physics, ; Applied; Physics, Condensed Matter

    Abstract

    Using scanning tunneling microscopy, low energy electron diffraction measurements, and ab initio calculations based on density functional theory, we present atomic models of the (root 13 x root 13)R13.9 degrees silicene superstructure grown on Ag(1 1 1). The STM images reveal two co-existing atomic arrangements with two different orientations of the silicene sheet relative to the Ag(1 1 1) surface. DFT calculations with and without the inclusion of van der Waals interactions show corrugated Si atomic positions for both orientations implying a significant interaction with Ag(1 1 1) surface. The electronic structure of both silicene and Ag(1 1 1) surface are sufficiently affected that new interface states emerge close to the Fermi level. (C) 2014 Elsevier B.V. All rights reserved.

    Journal Title

    Applied Surface Science

    Volume

    303

    Publication Date

    1-1-2014

    Document Type

    Article

    Language

    English

    First Page

    61

    Last Page

    66

    WOS Identifier

    WOS:000334293200009

    ISSN

    0169-4332

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