Bismuth doping of graphene

Akturk O. U., TOMAK M.

APPLIED PHYSICS LETTERS, vol.96, no.8, 2010 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 96 Issue: 8
  • Publication Date: 2010
  • Doi Number: 10.1063/1.3334723
  • Journal Name: APPLIED PHYSICS LETTERS
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Keywords: adsorption, bismuth, density functional theory, doping profiles, electronic structure, elemental semiconductors, gradient methods, graphene, semiconductor doping, DYNAMICS, CARBON
  • Middle East Technical University Affiliated: Yes

Abstract

In this work, we have studied bismuth as a dopant in graphene using density functional theory (DFT). We find that bismuth is weakly physisorbed within DFT. On the other hand, we show that bismuth n-dopes graphene when it is substitutional. We observe that local density approximation results give higher substitutional energy than that of generalized gradient approximation. The electronic structure of graphene is changed when Bi is substitutional.