Wave packet dynamical calculations for carbon nanostructures

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

doi:10.1007/978-94-017-7478-9_5

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 conférence › Chapitre (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 originale	Anglais
titre	NATO Science for Peace and Security Series B: Physics and Biophysics
rédacteurs en chef	Antonio Maffucci, Sergey Maksimenko
Lieu de publication	Amsterdam
Editeur	Springer Verlag
Pages	89-102
Nombre de pages	14
Volume	none
ISBN (imprimé)	978-94-017-7476-5
Les DOIs	https://doi.org/10.1007/978-94-017-7478-9_5
Etat de la publication	Publié - 10 avr. 2016
Evénement	Workshop on Fundamental and Applied Nanoelectromagnetics, 2015 - Minsk, Belarus Durée: 25 mai 2015 → 27 mai 2015

Série de publications

Nom	NATO Science for Peace and Security Series B: Physics and Biophysics
Volume	none
ISSN (imprimé)	18746500

Une conférence

Une conférence	Workshop on Fundamental and Applied Nanoelectromagnetics, 2015
Pays/Territoire	Belarus
La ville	Minsk
période	25/05/15 → 27/05/15

Accès au document

10.1007/978-94-017-7478-9_5

Autres fichiers et liens

http://link.springer.com/chapter/10.1007%2F978-94-017-7478-9_5

GRAPHENE: Graphene-driven revolutions in ICT and beyond, FP7 Flagship project Nr 604391
Henrard, L., Lambin, P., Colomer, J., Reckinger, N., Felten, A., Mayer, A., SPORKEN, R. & Pireaux, J.
1/10/14 → 31/03/16
Projet: Recherche
FAEMCAR: Fundamental and Applied Electromagnetics of Nano-Carbons
Lambin, P.
1/11/12 → 31/10/16
Projet: Recherche

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

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title = "Wave packet dynamical calculations for carbon nanostructures",

abstract = "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 Schr{\"o}dinger- 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.",

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author = "Geza M{\'a}rk and P{\'e}ter Vancs{\'o} and Laszlo Bir{\'o} and Dmitry Kvashnin and Leonid Chernozatonskiy and Andrey Chaves and Khamdam Rakhimov and Philippe Lambin",

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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, NATO Science for Peace and Security Series B: Physics and Biophysics, VOL. none, Springer Verlag, Amsterdam, p. 89-102, Workshop on Fundamental and Applied Nanoelectromagnetics, 2015, Minsk, Belarus, 25/05/15. https://doi.org/10.1007/978-94-017-7478-9_5

Wave packet dynamical calculations for carbon nanostructures. / Márk, Geza; Vancsó, Péter; Biró, Laszlo et al.

NATO Science for Peace and Security Series B: Physics and Biophysics. Ed. / Antonio Maffucci; Sergey Maksimenko. Vol none Amsterdam : Springer Verlag, 2016. p. 89-102 (NATO Science for Peace and Security Series B: Physics and Biophysics; Vol none).

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

TY - CHAP

T1 - Wave packet dynamical calculations for carbon nanostructures

AU - Márk, Geza

AU - Vancsó, Péter

AU - Biró, Laszlo

AU - Kvashnin , Dmitry

AU - Chernozatonskiy, Leonid

AU - Chaves, Andrey

AU - Rakhimov, Khamdam

AU - Lambin, Philippe

PY - 2016/4/10

Y1 - 2016/4/10

N2 - 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.

AB - 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.

KW - Graphene

KW - Quantum tunneling

KW - Wave packet dynamics

UR - http://link.springer.com/chapter/10.1007%2F978-94-017-7478-9_5

U2 - 10.1007/978-94-017-7478-9_5

DO - 10.1007/978-94-017-7478-9_5

M3 - Chapter (peer-reviewed)

AN - SCOPUS:84964832772

SN - 978-94-017-7476-5

VL - none

T3 - NATO Science for Peace and Security Series B: Physics and Biophysics

SP - 89

EP - 102

BT - NATO Science for Peace and Security Series B: Physics and Biophysics

A2 - Maffucci, Antonio

A2 - Maksimenko, Sergey

PB - Springer Verlag

CY - Amsterdam

T2 - Workshop on Fundamental and Applied Nanoelectromagnetics, 2015

Y2 - 25 May 2015 through 27 May 2015

ER -

Márk G, Vancsó P, Biró L, Kvashnin D, Chernozatonskiy L, Chaves A et al. Wave packet dynamical calculations for carbon nanostructures. Dans Maffucci A, Maksimenko S, rédacteurs en chef, NATO Science for Peace and Security Series B: Physics and Biophysics. Vol none. Amsterdam: Springer Verlag. 2016. p. 89-102. (NATO Science for Peace and Security Series B: Physics and Biophysics). doi: 10.1007/978-94-017-7478-9_5

Wave packet dynamical calculations for carbon nanostructures

Résumé

Série de publications

Une conférence

Accès au document

Autres fichiers et liens

Empreinte digitale

Projets

GRAPHENE: Graphene-driven revolutions in ICT and beyond, FP7 Flagship project Nr 604391

FAEMCAR: Fundamental and Applied Electromagnetics of Nano-Carbons

Contient cette citation