Physics – Condensed Matter – Strongly Correlated Electrons
Scientific paper
2011-12-06
Physics
Condensed Matter
Strongly Correlated Electrons
5 pages and 5 figures, accepted by Physical Review B
Scientific paper
10.1103/PhysRevB.85.115442
With quantum Monte Carlo methods, we investigate the consequences of placing a magnetic adatom adjacent to a vacancy in a graphene sheet. We find that instead of the adatom properties depending on the energy of the adatom orbital, as in a single impurity problem, they develop a dependence on the energy of the split localized state associated with the single vacancy problem. Shifting the chemical potential through this experimentally more accessible energy scale reveals novel behavior in the spectral density, magnetic susceptibility, and the correlations of the adatom spin and charge with those of the conduction electrons. In general, the behavior of the adatom in the presence of a vacancy differs significantly from its behavior in the absence of a vacancy.
Gubernatis James E.
Hu Fu-Min
Li Yan-Chao
Lin Hai-Qing
Nieminen Risto M.
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