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  Square selenene and tellurene: novel group VI elemental 2D materials with nontrivial topological properties

Xian, L. D., Paz, A. P., Bianco, E., Ajayan, P. M., & Rubio, A. (2017). Square selenene and tellurene: novel group VI elemental 2D materials with nontrivial topological properties. 2D Materials, 4(4): 041003. doi:10.1088/2053-1583/aa8418.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-002B-07A0-C Version Permalink: http://hdl.handle.net/21.11116/0000-0004-B80E-E
Genre: Journal Article

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http://arxiv.org/abs/1607.01555 (Preprint)
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https://dx.doi.org/10.1088/2053-1583/aa8418 (Publisher version)
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 Creators:
Xian, L. D.1, 2, 3, Author              
Paz, A. P.1, 4, 5, Author
Bianco, E.6, Author
Ajayan, P. M.7, Author
Rubio, A.1, 2, 3, Author              
Affiliations:
1Nano-Bio Spectroscopy Group and ETSF, Universidad del País Vasco, CFM CSIC-UPV/EHU, ou_persistent22              
2Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266715              
3Center for Free-Electron Laser Science, ou_persistent22              
4School of Chemical Sciences and Engineering, Yachay Tech University, ou_persistent22              
5School of Physics and Nanotechnology, Yachay Tech University, ou_persistent22              
6Department of Chemistry, Rice University, ou_persistent22              
7Department of Materials Science and Nanoengineering, Rice University,, ou_persistent22              

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Free keywords: 2D elemental materials, density functional theory calculations, semi-Dirac materials, topological insulators
 Abstract: With first principles calculations, we predict a novel stable 2D layered structure for group VI elements Se and Te that we call square selenene and square tellurene, respectively. They have chair-like buckled structures similar to other layered materials such as silicene and germanene but with a square unit cell rather than a hexagonal one. This special structure gives rise to anisotropic band dispersions near the Fermi level that can be described by a generalized semi-Dirac Hamiltonian. We show that the considerably large band gap (~0.1 eV) opened by spin-orbit coupling makes square selenene and tellurene topological insulators, hosting non-trivial edge states. Therefore, square selenene and tellurene are promising materials for novel electronic and spintronic applications. Finally, we show that this new type of 2D elemental materials can potentially be grown on proper substrates, such as a Au(1 0 0) surface.

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Language(s): eng - English
 Dates: 2016-07-062017-07-212017-05-092017-08-042017-08-232017-08-23
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: arXiv: 1607.01555
DOI: 10.1088/2053-1583/aa8418
 Degree: -

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Project name : We acknowledge financial support from the European Research Council (ERC-2015-AdG-694097), Grupos Consolidados (IT578-13), and COST Action MP1306 (EUSpec). LX acknowledges support from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No. 709382 (MODHET). APP acknowledges postdoctoral fellowship from the Spanish ‘Juan de la Cierva-incorporación’ program (IJCI-2014-20147). EB acknowledge the support by the National Science Foundation Graduate Research Fellowship under Grant No. (DGE-1450681).
Grant ID : 709382
Funding program : Horizon 2020 (H2020)
Funding organization : European Commission (EC)

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Title: 2D Materials
Source Genre: Journal
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Publ. Info: Bristol : IOP Publ.
Pages: - Volume / Issue: 4 (4) Sequence Number: 041003 Start / End Page: - Identifier: ISSN: 2053-1583
CoNE: /journals/resource/2053-1583