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)Revue 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

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