Wave-packet representation of leads for efficient simulations of time-dependent electronic transport

Martin Konôpka and Peter Bokes
Phys. Rev. B 89, 125424 – Published 20 March 2014

Abstract

We present theoretical foundations and numerical demonstration of an efficient method for performing time-dependent many-electron simulations for electronic transport. The method employs the concept of stroboscopic wave-packet basis for the description of electrons' dynamics in the semi-infinite leads. The rest of the system can be treated using common propagation schemes for finite electronic systems. We use the implementation of our method to study the time-dependent current response in armchair graphene nanoribbons (AGNRs) with sizes up to 800 atoms described within tight-binding approximation. The character of the time-dependent current is studied for different magnitudes of the bias voltage, variable width and length of AGNRs, different positions of the current measurement, and for full and reduced coupling of the AGNRs to the electrodes.

  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Received 13 January 2014
  • Revised 6 March 2014

DOI:https://doi.org/10.1103/PhysRevB.89.125424

©2014 American Physical Society

Authors & Affiliations

Martin Konôpka* and Peter Bokes

  • Department of Physics, Institute of Nuclear and Physical Engineering, Faculty of Electrical Engineering and Information Technology, Slovak University of Technology in Bratislava, Ilkovičova 3, 812 19 Bratislava, Slovakia

  • *martin.konopka@stuba.sk

Article Text (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 89, Iss. 12 — 15 March 2014

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review B

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×