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  Interaction of silicene and germanene with non-metallic substrates

Houssa, M., Scalise, E., van den Broek, B., Lu, A. K. A., Pourtois, G., Afanas'Ev, V. V., et al. (2014). Interaction of silicene and germanene with non-metallic substrates.

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 Creators:
Houssa, Michel1, Author           
Scalise, Emilio2, Author           
van den Broek, Bas3, Author           
Lu, Anh Khoa Augustin3, 4, Author           
Pourtois, Geoffrey4, Author           
Afanas'Ev, Valeri V.3, Author           
Stesmans, Andre' L.3, Author           
Affiliations:
1Semiconductor Physics Laboratory, Department of Physics and Astronomy, University of Leuven, Celestijnenlaan 200 D, Leuven, Belgium, persistent22              
2Atomistic Modelling, Interface Chemistry and Surface Engineering, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863350              
3Department of Physics and Astronomy, University of Leuven, Leuven, Belgium, persistent22              
4Imec, 75 Kapeldreef, Leuven, Belgium, persistent22              

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Free keywords: D region; Electric fields; Electronic properties; Energy gap; Lattice mismatch; Semiconducting selenium compounds; Van der Waals forces; Zinc sulfide, Covalent bonding; Dirac cones; First-principles simulations; Germanene; Material layers; Non-metallic substrates; Out-of plane; Van Der Waals interactions, Substrates
 Abstract: By using first-principles simulations, we investigate the interaction of silicene and germanene with various non-metallic substrates. We first consider weak van der Waals interactions between the 2D layers and dichalcogenide substrates, like MoX2 (X=S, Se, Te). The buckling of the silicene or germanene layer is correlated to the lattice mismatch between the 2D material and the MoX2 template. The electronic properties of silicene or germanene on these different templates then largely depend on the buckling of the 2D material layer: highly buckled silicene or germanene on MoS2 are predicted to be metallic, while low buckled silicene on MoTe2 is predicted to be semi-metallic, with preserved Dirac cones at the K points. We next study the covalent bonding of silicene and germanene on (0001) ZnS and ZnSe surfaces. On these substrates, silicene or germanene are found to be semiconducting. Remarkably, the nature and magnitude of their energy band gap can be controlled by an out-of-plane electric field. © Published under licence by IOP Publishing Ltd.

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Language(s): eng - English
 Dates: 2014
 Publication Status: Issued
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: -
 Identifiers: DOI: 10.1088/1742-6596/574/1/012015
BibTex Citekey: Houssa2014
 Degree: -

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Title: 3rd International Conference on Mathematical Modeling in Physical Sciences, IC-MSQUARE 2014
Place of Event: Madrid, Spain
Start-/End Date: 2014-08-28 - 2014-08-31

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Title: Journal of Physics: Conference Series
Source Genre: Journal
 Creator(s):
O., Kosmas1, Editor
K., Varga1, Editor
D.S., Vlachos1, Editor
Y., Kominis1, Editor
E.C., Vagenas1, Editor
C., Bastos1, Editor
T., Hofer1, Editor
Le G., Lay1, Editor
E., Suraud1, Editor
P., De Padova1, Editor
B., Rode1, Editor
Affiliations:
1 Department of Physics and Astronomy, University of Leuven, Leuven, Belgium; Max Planck Institut für Eisenforschung, Dusseldorf, Germany; Imec, 75 Kapeldreef, Leuven, Belgium, ou_persistent22            
Publ. Info: Bristol, UK : IOP Publishing
Pages: - Volume / Issue: 574 (1) Sequence Number: - Start / End Page: 012015 Identifier: ISSN: 1742-6588
CoNE: https://pure.mpg.de/cone/journals/resource/111097776606042