Self-consistent tight-binding model of B and N doping in graphene

Thomas Garm Pedersen, Jesper Goor Pedersen

Research output: Contribution to journalJournal articleResearchpeer-review

344 Downloads (Pure)


Boron and nitrogen substitutional impurities in graphene are analyzed using a self-consistent tight-binding approach. An analytical result for the impurity Green's function is derived taking broken electron-hole symmetry into account and validated by comparison to numerical diagonalization. The impurity potential depends sensitively on the impurity occupancy, leading to a self-consistency requirement. We solve this problem using the impurity Green's function and determine the self-consistent local density of states at the impurity site and, thereby, identify acceptor and donor energy resonances.
Original languageEnglish
JournalPhysical Review B Condensed Matter
Issue number15
Pages (from-to)155433
Publication statusPublished - 2013


Dive into the research topics of 'Self-consistent tight-binding model of B and N doping in graphene'. Together they form a unique fingerprint.

Cite this