Sengupta, A. (2016) Atomistic Simulation of Transport Properties of Non-graphitic Armchair Nanotubes and Effect of Stone-Wales Defects. In: 2016 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), Nuremberg, Germany, 06-09 Sep 2016, pp. 97-100. ISBN 9781509008186 (doi: 10.1109/SISPAD.2016.7605157)
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Abstract
In this work, we study the carrier transport properties of three non-graphitic armchair nanotubes (of Silicene, Germanene and Phosphorene) under an empirical tight binding (ETB)-non-equilibrium Green's function (NEGF) approach. The electronic properties are studied with extended Hückel theory, while phonon calculations are carried out with Stillinger-Weber classical potentials in ATK. The impact of Stone-Wales (SW) defects in electron and phonon transport properties of such tubes is also investigated. Our simulations show Silicene and Germanene nanotubes to offer much better electrical conduction than phosphorene NTs. The carrier transport and change charge density around the SW defect site is found to be affected more significantly in phosphorene nanotubes. Suppression of phonon transmission with introduction of defect is observed for all the cases. The overall results show a good possibility of defect engineered tailoring of electrical and thermal properties of these nanotubes.
| Item Type: | Conference Proceedings |
|---|---|
| Status: | Published |
| Refereed: | Yes |
| Glasgow Author(s) Enlighten ID: | Sengupta, Dr Amretashis |
| Authors: | Sengupta, A. |
| College/School: | College of Science and Engineering > School of Engineering > Systems Power and Energy |
| ISSN: | 1946-1577 |
| ISBN: | 9781509008186 |
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