Silicene on metal and metallized surfaces: ab initio studies

The deposition of silicene on several metals is investigated. For fcc crystals the (111) surfaces while for hexagonal ones the (0001) surfaces are used. The Ca(111)1 × 1 substrate is found to be the most promising candidate. The silicene adsorption on Ca-functionalized Si(111)1 × 1 and 2 × 1 surface...

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Bibliographic Details
Main Authors: Paul Pflugradt, Lars Matthes, Friedhelm Bechstedt
Format: Article
Language:English
Published: IOP Publishing 2014-01-01
Series:New Journal of Physics
Subjects:
Online Access:https://doi.org/10.1088/1367-2630/16/7/075004
Description
Summary:The deposition of silicene on several metals is investigated. For fcc crystals the (111) surfaces while for hexagonal ones the (0001) surfaces are used. The Ca(111)1 × 1 substrate is found to be the most promising candidate. The silicene adsorption on Ca-functionalized Si(111)1 × 1 and 2 × 1 surfaces is also studied. The 1 × 1 substrates lead to overlayer silicene with hexagonal symmetry and Dirac cones. However, the Dirac points are below the Fermi level, and small energy gaps are opened. In the case of 2 × 1 surfaces, strong lattice relaxation occurs. Only rudiments of conical linear bands remain visible.
ISSN:1367-2630