Wave packet dynamical calculations for carbon nanostructures

Geza Márk, Péter Vancsó, Laszlo Biró, Dmitry Kvashnin , Leonid Chernozatonskiy, Andrey Chaves, Khamdam Rakhimov, Philippe Lambin

Résultats de recherche: Contribution dans un livre/un catalogue/un rapport/dans les actes d'une conférenceChapitre (revu par des pairs)

Résumé

Wave packet dynamics is an efficient method of computational quantum mechanics. Understanding the dynamics of electrons in nanostructures is important in both interpreting measurements on the nano-scale and for designing nanoelectronics devices. The time dependent dynamics is available through the solution of the time dependent Schrödinger- or Dirac equation. The energy dependent dynamics can be calculated by the application of the time-energy Fourier transform. We performed such calculations for various sp2 carbon nanosystems, e.g. graphene grain boundaries and nanotube networks. We identified the global- and local structural properties of the system which influence the transport properties, such as the structures, sizes, and relative angles of the translation periodic parts, and the microstructure of the interfaces between them. Utilizing modified dispersion relations makes it possible to extend the method to graphene like materials as well.
langue originaleAnglais
titreNATO Science for Peace and Security Series B: Physics and Biophysics
rédacteurs en chefAntonio Maffucci, Sergey Maksimenko
Lieu de publicationAmsterdam
EditeurSpringer Verlag
Pages89-102
Nombre de pages14
Volumenone
ISBN (imprimé)978-94-017-7476-5
Les DOIs
Etat de la publicationPublié - 10 avr. 2016
EvénementWorkshop on Fundamental and Applied Nanoelectromagnetics, 2015 - Minsk, Belarus
Durée: 25 mai 201527 mai 2015

Série de publications

NomNATO Science for Peace and Security Series B: Physics and Biophysics
Volumenone
ISSN (imprimé)18746500

Une conférence

Une conférenceWorkshop on Fundamental and Applied Nanoelectromagnetics, 2015
PaysBelarus
La villeMinsk
période25/05/1527/05/15

    Empreinte digitale

Contient cette citation

Márk, G., Vancsó, P., Biró, L., Kvashnin , D., Chernozatonskiy, L., Chaves, A., Rakhimov, K., & Lambin, P. (2016). Wave packet dynamical calculations for carbon nanostructures. Dans A. Maffucci, & S. Maksimenko (eds.), NATO Science for Peace and Security Series B: Physics and Biophysics (Vol none, p. 89-102). (NATO Science for Peace and Security Series B: Physics and Biophysics; Vol none). Springer Verlag. https://doi.org/10.1007/978-94-017-7478-9_5