Title

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

Authors

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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