American Physical Society, Physical Review Letters, 18(106)
DOI: 10.1103/physrevlett.106.186102
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Elaborate density functional theory (DFT) calculations that include the effect of van der Waals (vdW) interactions have been carried out for graphene epitaxially grown on Ru(0001). The calculations predict a reduction of structural corrugation in the observed moiré pattern of about 25% ($$∼${}0.4\text{ }\text{ }\AA{}$) with respect to DFT calculations without vdW corrections. The simulated STM topographies are close to the experimental ones in a wide range of bias voltage around the Fermi level.