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  Designing 3D topological insulators by 2D-Xene (X = Ge, Sn) sheet functionalization in GaGeTe-type structures

Pielnhofer, F., Menshchikova, T. V., Rusinov, I. P., Zeugner, A., Sklyadneva, I. Y., Heid, R., et al. (2017). Designing 3D topological insulators by 2D-Xene (X = Ge, Sn) sheet functionalization in GaGeTe-type structures. Journal of Materials Chemistry C, 5(19), 4752-4762. doi:10.1039/c7tc00390k.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-002D-5D80-F Version Permalink: http://hdl.handle.net/21.11116/0000-0001-9C97-5
Genre: Journal Article

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 Creators:
Pielnhofer, F.1, Author
Menshchikova, T. V.1, Author
Rusinov, I. P.1, Author
Zeugner, A.1, Author
Sklyadneva, I. Yu.1, Author
Heid, R.1, Author
Bohnen, K.-P.1, Author
Golub, P.1, Author
Baranov, A.2, Author              
Chulkov, E. V.1, Author
Pfitzner, A.1, Author
Ruck, M.3, Author              
Isaeva, A.1, Author
Affiliations:
1External Organizations, ou_persistent22              
2Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863405              
3Michael Ruck, Max Planck Fellow, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863444              

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 Abstract: State-of-the-art theoretical studies anticipate a 2D Dirac system in the "heavy'' analogues of graphene, free-standing buckled honeycomb-like Xenes (X = Si, Ge, Sn, Pb, etc.). Herewith we regard a 2D sheet, which structurally and electronically resembles Xenes, in a 3D periodic, rhombohedral structure of layered AXTe (A = Ga, In; X = Ge, Sn) bulk materials. This structural family is predicted to host a 3D strong topological insulator with Z(2) = 1;(111) as a result of functionalization of the Xene derivative by covalent interactions. The parent structure GaGeTe is a long-known bulk semiconductor; the "heavy'', isostructural analogues InSnTe and GaSnTe are predicted to be dynamically stable. Spin-orbit interaction in InSnTe opens a small topological band gap with inverted gap edges that are mainly composed of the In-5s and Te-5p states. Our simulations classify GaSnTe as a semimetal with topological properties, whereas the verdict for GaGeTe is not conclusive and urges further experimental verification. The AXTe family structures can be regarded as stacks of 2D layered cut-outs from a zincblende-type lattice and are composed of elements that are broadly used in modern semiconductor devices; hence they represent an accessible, attractive alternative for applications in spintronics. The layered nature of AXTe should facilitate the exfoliation of their hextuple layers and manufacture of heterostructures.

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Language(s): eng - English
 Dates: 2017-04-182017-04-18
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Method: -
 Identifiers: ISI: 000401712700019
DOI: 10.1039/c7tc00390k
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Title: Journal of Materials Chemistry C
  Other : Journal of Materials Chemistry C: Materials for Optical and Electronic Devices
  Abbreviation : J. Mater. Chem. C
Source Genre: Journal
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Publ. Info: London, UK : Royal Society of Chemistry
Pages: - Volume / Issue: 5 (19) Sequence Number: - Start / End Page: 4752 - 4762 Identifier: ISSN: 2050-7526
CoNE: /journals/resource/2050-7526