Electronic structure of assembled graphene nanoribbons: Substrate and many-body effects

Liangbo Liang, Vincent Meunier

Research output: Contribution to journalArticlepeer-review

44 Scopus citations

Abstract

Experimentally measured electronic band gaps of atomically sharp straight and chevronlike armchair graphene nanoribbons (GNRs) adsorbed on a gold substrate are smaller than theoretically predicted quasiparticle band gaps of their free-standing counterparts. The influence of the substrate on electronic properties of both straight and chevronlike GNRs is here investigated including many-body effects beyond semilocal density-functional theory. The predicted small electron transfer from a straight or chevronlike GNR to the gold surface is found to lead to a surface polarization at the GNR-metal interface responsible for a significant reduction of the quasiparticle band gap of the GNR. This reduction is quantified using a semiclassical image charge model. By considering both quasiparticle and surface polarization corrections, we obtain theoretical band gaps that are consistent with experimental ones for gold-supported GNRs.

Original languageEnglish (US)
Article number195404
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume86
Issue number19
DOIs
StatePublished - Nov 2 2012

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Fingerprint

Dive into the research topics of 'Electronic structure of assembled graphene nanoribbons: Substrate and many-body effects'. Together they form a unique fingerprint.

Cite this