| Download ( PDF | 3MB) |
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.
and 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), pp. 4752-4762.
Date of publication of this fulltext: 06 Jul 2017 06:07
Article
DOI to cite this document: 10.5283/epub.35804
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 ...
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.
Alternative links to fulltext
Involved Institutions
Details
| Item type | Article | ||||
| Journal or Publication Title | J. Mater. Chem. C | ||||
| Publisher: | ROYAL SOC CHEMISTRY | ||||
|---|---|---|---|---|---|
| Place of Publication: | CAMBRIDGE | ||||
| Volume: | 5 | ||||
| Number of Issue or Book Chapter: | 19 | ||||
| Page Range: | pp. 4752-4762 | ||||
| Date | 2017 | ||||
| Institutions | Chemistry and Pharmacy > Institut für Anorganische Chemie > Chair Prof. Dr. Arno Pfitzner | ||||
| Identification Number |
| ||||
| Keywords | MIXED-BASIS APPROACH; SPIN HALL INSULATOR; ELECTRONIC-STRUCTURE; AB-INITIO; ZINTL PHASE; ENERGY; LOCALIZATION; GERMANANE; MOLECULES; CRYSTAL; | ||||
| Dewey Decimal Classification | 500 Science > 540 Chemistry & allied sciences | ||||
| Status | Published | ||||
| Refereed | Yes, this version has been refereed | ||||
| Created at the University of Regensburg | Yes | ||||
| URN of the UB Regensburg | urn:nbn:de:bvb:355-epub-358044 | ||||
| Item ID | 35804 |
Download Statistics
Download Statistics