Electronic Dynamics in Graphene and MoS2 Systems

Géza I. Márk, Gyöngyi R. Fejér, Péter Vancsó, Philippe Lambin, László P. Biró

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

We performed wave packet dynamical calculations for graphene- and MoS2 monolayers by a new formulation of the split-operator FFT method utilizing ab initio band structure results into the kinetic energy operator. While the time dependent dynamics is available through the solution of the time dependent Schrödinger equation in wave packet dynamics, the energy dependent dynamics is calculated by the application of the time–energy Fourier transform to the wave function. Time dependent probability results show an anisotropic spreading of the probability density current. The magnitude and angular dependence of the anisotropy is dependent (i) on the process creating the initial wave packet (e.g., injection from an STM tip or scattering on an impurity) and (ii) on the details of the band structure.

Original languageEnglish
Article number1700179
JournalPhysica Status Solidi (B) Basic Research
Volume254
Issue number11
DOIs
Publication statusPublished - Nov 1 2017

Fingerprint

Wave packets
Graphite
wave packets
Graphene
graphene
Band structure
electronics
operators
fast Fourier transformations
Wave functions
Kinetic energy
Fast Fourier transforms
Monolayers
Fourier transforms
Anisotropy
Current density
kinetic energy
wave functions
Scattering
Impurities

Keywords

  • band structure
  • defects
  • graphene
  • MoS
  • two-dimensional materials
  • wave packet dynamics

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Electronic Dynamics in Graphene and MoS2 Systems. / Márk, Géza I.; Fejér, Gyöngyi R.; Vancsó, Péter; Lambin, Philippe; Biró, László P.

In: Physica Status Solidi (B) Basic Research, Vol. 254, No. 11, 1700179, 01.11.2017.

Research output: Contribution to journalArticle

Márk, Géza I. ; Fejér, Gyöngyi R. ; Vancsó, Péter ; Lambin, Philippe ; Biró, László P. / Electronic Dynamics in Graphene and MoS2 Systems. In: Physica Status Solidi (B) Basic Research. 2017 ; Vol. 254, No. 11.
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