Electronic dynamics in graphene and MoS2 systems

Géza Mark, Gyöngyi R. Fejér, Peter Vancso, Philippe Lambin, László P. Biró

Résultats de recherche: Contribution à un journal/une revueArticle

Résumé

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.
langueAnglais
Numéro d'article1700179
Nombre de pages10
journalPhysica Status Solidi (B) Basic Research
Volume254
Les DOIs
étatPublié - 24 août 2017

Empreinte digitale

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

Citer ceci

@article{119dd9569b7a476591a71ec9c30cf920,
title = "Electronic dynamics in graphene and MoS2 systems",
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 Schr{\"o}dinger 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.",
author = "G{\'e}za Mark and Fej{\'e}r, {Gy{\"o}ngyi R.} and Peter Vancso and Philippe Lambin and Bir{\'o}, {L{\'a}szl{\'o} P.}",
year = "2017",
month = "8",
day = "24",
doi = "10.1002/pssb.201700179",
language = "English",
volume = "254",
journal = "Physica Status Solidi (B) Basic Research",
issn = "0370-1972",
publisher = "Wiley-VCH Verlag",

}

Electronic dynamics in graphene and MoS2 systems. / Mark, Géza; Fejér, Gyöngyi R. ; Vancso, Peter; Lambin, Philippe; Biró, László P.

Dans: Physica Status Solidi (B) Basic Research, Vol 254, 1700179, 24.08.2017.

Résultats de recherche: Contribution à un journal/une revueArticle

TY - JOUR

T1 - Electronic dynamics in graphene and MoS2 systems

AU - Mark,Géza

AU - Fejér,Gyöngyi R.

AU - Vancso,Peter

AU - Lambin,Philippe

AU - Biró,László P.

PY - 2017/8/24

Y1 - 2017/8/24

N2 - 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.

AB - 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.

U2 - 10.1002/pssb.201700179

DO - 10.1002/pssb.201700179

M3 - Article

VL - 254

JO - Physica Status Solidi (B) Basic Research

T2 - Physica Status Solidi (B) Basic Research

JF - Physica Status Solidi (B) Basic Research

SN - 0370-1972

M1 - 1700179

ER -