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Carrier-tunable magnetism of graphene with single-atom vacancy
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View: Figures


Image of FIG. 1.
FIG. 1.

(a) The computational models for the GSV systems. Here, three carbon atoms around the atomic vacancy in a 6 × 6 supercell are labeled by C, C, and C, respectively. Inset: the spin density distribution around the vacancy. (b) The total MM of GSV as a function of the doping concentration (). Inset: C-C and C-C bond lengths as a function of .

Image of FIG. 2.
FIG. 2.

The spin-polarized band structures and the spatial maps of four selected states at Γ point of the GSVs without carrier doping.

Image of FIG. 3.
FIG. 3.

The spin-polarized total and DOS of GSV, and , and PDOS of C and C atoms in GSV with different carrier doping concentrations, (a)  = 0, (b)  = −1.0, and (c)  = 1.0. Here, is set to zero for clarity.

Image of FIG. 4.
FIG. 4.

The energy difference ( ) of the GSV ( = 6) as a function of the doping concentration () and corresponding .

Image of FIG. 5.
FIG. 5.

The magnetism populations (in ) along the labeled lines in inset under different carrier doping concentrations in the GSV ( = 6).

Image of FIG. 6.
FIG. 6.

(a) The optimized structure of GSV adsorbed on Cu(111) surface. (b) The spin density map of GSV on Cu(111) surface with the vacancy locating on the atop site of Cu(111) surface. Inset: the vacancy on the hollow (hcp) site.


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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Carrier-tunable magnetism of graphene with single-atom vacancy