Journal article
Self-consistent tight-binding model of B and N doping in graphene
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.
Language: | English |
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Year: | 2013 |
ISSN: | 1550235x , 10980121 and 01631829 |
Types: | Journal article |
DOI: | 10.1103/PhysRevB.87.155433 |