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Pielnhofer, F. ; Menshchikova, I. ; Rusinov, P. ; Zeugner, A. ; Sklyadneva, I. Yu. ; Heid, R. ; Bohnen, K.-P. ; Golup, P. ; Baranov, I. ; Chulkov, Evgueni V. ; Pfitzner, Arno ; Ruck, M. ; Isaeva, A.

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

Pielnhofer, F., Menshchikova, I. , Rusinov, P., Zeugner, A., Sklyadneva, I. Yu., Heid, R. , Bohnen, K.-P., Golup, P., Baranov, I., Chulkov, Evgueni V., Pfitzner, Arno , Ruck, M. und Isaeva, A. (2017) Designing 3D topological insulators by 2D-Xene (X = Ge, Sn) sheet functionalization in the GaGeTe-type structures. J. Mater. Chem. C 5 (19), S. 4752-4762.

Veröffentlichungsdatum dieses Volltextes: 06 Jul 2017 06:07
Artikel
DOI zum Zitieren dieses Dokuments: 10.5283/epub.35804


Zusammenfassung

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 ...

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.



Beteiligte Einrichtungen


Details

DokumentenartArtikel
Titel eines Journals oder einer ZeitschriftJ. Mater. Chem. C
Verlag:ROYAL SOC CHEMISTRY
Ort der Veröffentlichung:CAMBRIDGE
Band:5
Nummer des Zeitschriftenheftes oder des Kapitels:19
Seitenbereich:S. 4752-4762
Datum2017
InstitutionenChemie und Pharmazie > Institut für Anorganische Chemie > Lehrstuhl Prof. Dr. Arno Pfitzner
Identifikationsnummer
WertTyp
10.1039/c7tc00390kDOI
Stichwörter / KeywordsMIXED-BASIS APPROACH; SPIN HALL INSULATOR; ELECTRONIC-STRUCTURE; AB-INITIO; ZINTL PHASE; ENERGY; LOCALIZATION; GERMANANE; MOLECULES; CRYSTAL;
Dewey-Dezimal-Klassifikation500 Naturwissenschaften und Mathematik > 540 Chemie
StatusVeröffentlicht
BegutachtetJa, diese Version wurde begutachtet
An der Universität Regensburg entstandenJa
URN der UB Regensburgurn:nbn:de:bvb:355-epub-358044
Dokumenten-ID35804

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