Publication
Title
Theoretical study of silicene and germanene
Author
Abstract
The structural and electronic properties of silicene and germanene on metallic and non-metallic substrates are investigated theoretically, using first-principles simulations. We first study the interaction of silicene with Ag(111) surfaces, focusing on the (4x4) silicene/Ag structure. Due to symmetry breaking in the silicene layer (nonequivalent number of top and bottom Si atoms), silicene is predicted to be semiconducting, with a computed energy gap of about 0.3 eV. However, the charge transfer occurring at the silicene/Ag(111) interface leads to an overall metallic system. We next investigate the interaction of silicene and germanene with hexagonal non-metallic substrates, namely ZnS and ZnSe. On reconstructed (semiconducting) (0001) ZnS or ZnSe surfaces, silicene and germanene are found to be semiconducting. Remarkably, the nature (indirect or direct) and magnitude of their energy band gap can be controlled by an out-of-plane electric field.
Language
English
Source (journal)
GRAPHENE, GE/III-V, AND EMERGING MATERIALS FOR POST CMOS APPLICATIONS 5
Source (book)
5th International Symposium on Graphene, Ge/III-V and Emerging Materials, For Post-CMOS Applications at the 223rd Meeting of the, Electrochemical-Society (ECS), MAY 12-17, 2013, Toronto, CANADA
Publication
Pennington : Electrochemical soc inc, 2013
Volume/pages
53:1(2013), p. 51-62
ISI
000354468000006
Number
978-1-60768-374-2
978-1-62332-023-2
Full text (Publishers DOI)
Full text (publishers version - intranet only)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 20.07.2016
Last edited 22.04.2017
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