Comptes Rendus
Multiscale simulation of carbon nanotube devices
Comptes Rendus. Physique, Volume 10 (2009) no. 4, pp. 305-319.

In recent years, the understanding and accurate simulation of carbon nanotube-based devices has become very challenging. Conventional simulation tools of microelectronics are necessary to envision the performance and use of nanotube transistors and circuits, but the models need to be refined to properly describe the full complexity of such novel type of devices at the nanoscale. Indeed, many issues such as contact resistance, low dimensional electrostatics and screening effects, as well as nanotube doping or functionalization, demand for more accurate quantum approaches. In this article, we review our recent progress on multiscale simulations which aim at bridging first principles calculations with compact modelling, including the comparison between semi-classical Monte Carlo and quantum transport approaches.

Ces dernières années, la compréhension et la simulation précise des dispositifs à base de nanotubes de carbone est devenue une tâche ambitieuse. Les outils de simulation conventionnels de la microélectronique sont nécessaires pour imaginer les performances et l'utilisation des transistors et des circuits à base de nanotubes, mais les modèles doivent être affinés pour décrire correctement la complexité de ces nouveaux types de dispositifs à l'échelle nanométrique. En effet, de nombreuses questions comme la résistance de contact, l'électrostatique en basse dimensionalité et les effets d'écrantage, ainsi que le dopage ou la fonctionnalisation des nanotubes, nécessitent des approches quantiques plus précises. Dans cet article, nous exposons nos progrès récents sur des simulations multi-échelles qui visent à connecter des calculs basés sur les premiers principes à la modélisation compacte, en passant par la comparaison entre l'approche Monte Carlo semi-classique et le transport quantique.

Published online:
DOI: 10.1016/j.crhy.2009.05.004
Keywords: Carbon nanotubes, Simulation, Electronic transport, Transistors, Circuits, Ab initio calculations
Mot clés : Nanotubes de carbone, Simulation, Tranport électronique, Transistors, Circuits, Calculs ab initio

C. Adessi 1; R. Avriller 2; X. Blase 3; A. Bournel 4; H. Cazin d'Honincthun 4; P. Dollfus 4; S. Frégonèse 5; S. Galdin-Retailleau 4; A. López-Bezanilla 6; C. Maneux 5; H. Nha Nguyen 4; D. Querlioz 4; S. Roche 6; F. Triozon 7; T. Zimmer 5

1 Laboratoire de physique de la matière condensée et des nanostructures, CNRS, université Claude-Bernard Lyon I, UMR 5586, 69622 Villeurbanne cedex, France
2 Departamento de Física Teórica de la Materia Condensada c-v, Facultad de Ciencias, Universidad Autónoma de Madrid, E-28049 Madrid, Spain
3 Institut Néel, CNRS, université Joseph-Fourier, B.P. 166, 38042 Grenoble cedex 09, France
4 Institut d'électronique fondamentale, CNRS, université Paris-Sud (UMR 8622), 91405 Orsay cedex, France
5 IMS, université Bordeaux 1, CNRS, UMR 5218, 33405 Talence, France
6 Commissariat à l'énergie atomique, INAC, SP2M, L_Sim, 17, rue des Martyrs, 38054 Grenoble cedex, France
7 Commissariat à l'énergie atomique, Leti-MINATEC, 17, rue des Martyrs, 38054 Grenoble cedex, France
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C. Adessi; R. Avriller; X. Blase; A. Bournel; H. Cazin d'Honincthun; P. Dollfus; S. Frégonèse; S. Galdin-Retailleau; A. López-Bezanilla; C. Maneux; H. Nha Nguyen; D. Querlioz; S. Roche; F. Triozon; T. Zimmer. Multiscale simulation of carbon nanotube devices. Comptes Rendus. Physique, Volume 10 (2009) no. 4, pp. 305-319. doi : 10.1016/j.crhy.2009.05.004. https://comptes-rendus.academie-sciences.fr/physique/articles/10.1016/j.crhy.2009.05.004/

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