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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.
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| Dokumentenart | Artikel | ||||
| Titel eines Journals oder einer Zeitschrift | J. Mater. Chem. C | ||||
| Verlag: | ROYAL SOC CHEMISTRY | ||||
|---|---|---|---|---|---|
| Ort der Veröffentlichung: | CAMBRIDGE | ||||
| Band: | 5 | ||||
| Nummer des Zeitschriftenheftes oder des Kapitels: | 19 | ||||
| Seitenbereich: | S. 4752-4762 | ||||
| Datum | 2017 | ||||
| Institutionen | Chemie und Pharmazie > Institut für Anorganische Chemie > Lehrstuhl Prof. Dr. Arno Pfitzner | ||||
| Identifikationsnummer |
| ||||
| Stichwörter / Keywords | MIXED-BASIS APPROACH; SPIN HALL INSULATOR; ELECTRONIC-STRUCTURE; AB-INITIO; ZINTL PHASE; ENERGY; LOCALIZATION; GERMANANE; MOLECULES; CRYSTAL; | ||||
| Dewey-Dezimal-Klassifikation | 500 Naturwissenschaften und Mathematik > 540 Chemie | ||||
| Status | Veröffentlicht | ||||
| Begutachtet | Ja, diese Version wurde begutachtet | ||||
| An der Universität Regensburg entstanden | Ja | ||||
| URN der UB Regensburg | urn:nbn:de:bvb:355-epub-358044 | ||||
| Dokumenten-ID | 35804 |
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