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The ABINIT code results from a common project of the Université Catholique de Louvain, Corning Incorporated, and other collaborators
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The ABINIT code results from a common project of the Université Catholique de Louvain, Corning Incorporated, and other collaborators (http://www.abinit.org).
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A1 ′ = 2.7. These values are in almost perfect quantitative agreement with the calculations of ref 38, which in turn compared quite favorably to Raman measurements on stretched graphene
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A 1′ = 2.7. These values are in almost perfect quantitative agreement with the calculations of ref 38, which in turn compared quite favorably to Raman measurements on stretched graphene.
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We note, however, that the HREELS data points are often considerably scattered. For example, in the case of pure graphite the experimental gap is not completely closed (see the data of ref 41 in Figure 2) even though the closure of the gap is dictated by the symmetry of the system
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We note, however, that the HREELS data points are often considerably scattered. For example, in the case of pure graphite the experimental gap is not completely closed (see the data of ref 41 in Figure 2) even though the closure of the gap is dictated by the symmetry of the system.
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44
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78449270539
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1/2, because in their model every atom is connected via a spring to the substrate
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1/2, because in their model every atom is connected via a spring to the substrate.
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45
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78449272664
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4 dyn/cm is much softer
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4 dyn/cm is much softer.
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78449305043
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To demonstrate the average effect of the graphene-substrate interaction, we have performed a spin-unpolarized calculation in the local density approximation. For the details of the spin-polarized band structure, we refer to refs 6 and 35
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To demonstrate the average effect of the graphene-substrate interaction, we have performed a spin-unpolarized calculation in the local density approximation. For the details of the spin-polarized band structure, we refer to refs 6 and 35.
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51
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78449299407
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The result is similar to the phonon dispersion of pure graphene when calculated under neglect of the EPC with the π bands (Figure 1 of ref 45)
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The result is similar to the phonon dispersion of pure graphene when calculated under neglect of the EPC with the π bands (Figure 1 of ref 45).
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52
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78449307183
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We start at the (LDA) equilibrium value of 2.02 Å and increase the binding distance in steps of 0.2 Å. Since this no longer corresponds to the equilibrium geometry, we assume a planar graphene sheet and calculate only the in-plane modes
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We start at the (LDA) equilibrium value of 2.02 Å and increase the binding distance in steps of 0.2 Å. Since this no longer corresponds to the equilibrium geometry, we assume a planar graphene sheet and calculate only the in-plane modes.
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