Berlin 2018 – scientific programme
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TT: Fachverband Tiefe Temperaturen
TT 33: Nanotubes and Nanoribbons
TT 33.4: Talk
Tuesday, March 13, 2018, 10:15–10:30, H 0110
Influence of defect-induced deformations on electron transport in carbon nanotubes — •Fabian Teichert1,3,5, Christian Wagner1,2, Alexander Croy4, and Jörg Schuster3,5 — 1Institute of Physics, Technische Universität Chemnitz, Chemnitz, Germany — 2Center for Microtechnologies (ZfM), Technische Universität Chemnitz, Chemnitz, Germany — 3Dresden Center for Computational Materials Science (DCMS), Dresden, Germany — 4Institute for Materials Science and Max Bergmann Center of Biomaterials, Technische Universität Dresden, Dresden, Germany — 5Fraunhofer Institute for Electronic Nano Systems (ENAS), Chemnitz, Germany
We theoretically investigate the influence of defect-induced long-range deformations in carbon nanotubes on their electronic transport properties using a density-functional-based tight-binding (DFTB) model [1]. The geometry optimization leads to a strong reconstruction of the atoms close to the defect and an additional long-range deformation. The impact of both structural features on the conductance is systematically investigated for various tubes with vacancies.
We find that the long-range deformation additionally affects the transmission spectrum and the conductance compared to the short-range reconstruction.
The conductance of larger CNTs is overall less affected implying that the influence of the long-range deformation decreases with increasing tube diameter.
Our results indicate that the long-range deformation must be included in order to reliably describe the electronic structure of defective, small-diameter CNTs.
F. Teichert et al., arXiv:1705.01753 [cond-mat.mes-hall]