- AutorIn
- Fabian Teichert Technische Universität Chemnitz
- Christian WagnerHelmholtz-Zentrum Dresden-Rossendorf
- Alexander Croynstitute for Materials Science and Max Bergmann Center of Biomaterials, Technische Universität Dresden, Dresden, Germany
- Jörg Schuster
- Titel
- Influence of defect-induced deformations on electron transport in carbon nanotubes
- Zitierfähige Url:
- https://nbn-resolving.org/urn:nbn:de:bsz:ch1-qucosa2-324601
- Quellenangabe
- Journal of Physics Communications Verlag: IOP Publishing Ltd.
Erscheinungsjahr: 2018
Jahrgang: 2
Heft: 11
E-ISSN: 2399-6528
DOI: 10.1088/2399-6528/aaf08c
Artikelnummer: 115023 - Erstveröffentlichung
- 2018
- Abstract (EN)
- We theoretically investigate the influence of defect-induced long-range deformations in carbon nanotubes on their electronic transport properties. To this end we perform numerical ab-initio calculations using a density-functional-based tight-binding model for various tubes with vacancies. The geometry optimization leads to a change of the atomic positions. There is a strong reconstruction of the atoms near the defect (called 'distortion') and there is an additional long-range deformation. The impact of both structural features on the conductance is systematically investigated. We compare short and long CNTs of different kinds with and without long-range deformation. We find for the very thin (9, 0)-CNT that the long-range deformation additionally affects the transmission spectrum and the conductance compared to the short-range lattice distortion. The conductance of the larger (11, 0)-or the (14, 0)-CNT is overall less affected implying that the influence of the long-range deformation decreases with increasing tube diameter. Furthermore, the effect can be either positive or negative depending on the CNT type and the defect type. Our results indicate that the long-range deformation must be included in order to reliably describe the electronic structure of defective, small-diameter zigzag tubes.
- Andere Ausgabe
- DOI: 10.1088/2399-6528/aaf08c
- Freie Schlagwörter (DE)
- Kohlenstoff-Nanoröhre, Defekt, Deformation, Elektronischer Transport, Dichtefunktionaltheorie-basiertes Tight binding, Technische Universität Chemnitz, Publikationsfonds
- Freie Schlagwörter (EN)
- carbon nanotube, defect, deformation, electronic transport, density-functional-based tight binding, Chemnitz University of Technology, Publication funds
- Klassifikation (DDC)
- 530
- Normschlagwörter (GND)
- Kohlenstoff-Nanoröhre, Defekt, Deformation, Elektronischer Transport
- Verlag
- IOP Publishing Ltd., Großbritannien
- Version / Begutachtungsstatus
- publizierte Version / Verlagsversion
- URN Qucosa
- urn:nbn:de:bsz:ch1-qucosa2-324601
- Veröffentlichungsdatum Qucosa
- 12.12.2018
- Dokumenttyp
- Artikel
- Sprache des Dokumentes
- Englisch