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Electronic Structure of Few-Layer Epitaxial Graphene on Ru(0001)

https://doi.org/10.1021/nl901040v
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Every reference with a DOI in the deposited reference list resolved to a known work in Crossref or DataCite at the dated check, and none carried a retraction, withdrawal, or removal notice.

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The 41 checked references that resolve
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Graphene on Ru(0001): A<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>25</mml:mn><mml:mo>×</mml:mo><mml:mn>25</mml:mn></mml:math>Supercell
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The 4 references without a DOI — listed, not checked
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no DOI — not checkedWe have probed the impact of choosing the LDA by performing generalized gradient approximation calculations with the PBE functional(43)for selected cases. For the split registry, the local bond lengths are essentially the same, but the binding energy is reduced to 0.6 eV, still indicative of significant bond formation. For the BC case, the interaction becomes slightly repulsive and the total energy as a function of Ru-graphene spacing no longer shows a well-defined minimum. This agrees with recent calculations performed with the PBE functional examining a 12 × 12 graphene layer on an 11 × 11 Ru(0001) slab supercell.(44)While LDA-based calculations overestimate binding for weakly interacting layered systems (graphitec-axis lattice parameter too small), PBE-based calculations generally give no binding for such systems (graphitic layers are not bound). Thus, interface interaction suggests that the graphene regions near BC registry in the moiré may be somewhat further (say 0.1 Å) from the Ru surface than our LDA calculations indicate (2.20 Å), although lateral strain interactions may enhance the buckling.
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