期刊
PHYSICAL REVIEW B
卷 87, 期 15, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.87.155433
关键词
-
资金
- Danish Council for Independent Research, FTP [11-105204, 11-120941]
- Danish National Research Foundation [DNRF58]
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. DOI: 10.1103/PhysRevB.87.155433
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