Moiré beatings in graphene on Ru(0001)

Iannuzzi, Marcella; Kalichava, Irakli; Ma, Haifeng; Leake, Steven J; Zhou, Haitao; Li, Geng; Zhang, Yi; Bunk, Oliver; Gao, Hongjun; Hutter, Jürg; Willmott, Philip R; Greber, Thomas

doi:10.1103/PhysRevB.88.125433

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Iannuzzi, M., Kalichava, I., Ma, H., Leake, S. J., Zhou, H., Li, G., Zhang, Y., Bunk, O., Gao, H., Hutter, J., Willmott, P. R., & Greber, T. (2013). Moiré beatings in graphene on Ru(0001). Physical Review. B, Condensed Matter and Materials Physics, 88(12), 125433. https://doi.org/10.1103/PhysRevB.88.125433

Abstract

The moiré superstructure of a single layer of carbon on ruthenium, where 25×25 graphene honeycombs sit on 23×23 substrate unit cells, is determined from first principles. The density functional theory (DFT) calculations predict two kinds of structural units, Ω and Y, in the supercell, which are identified as moiré beatings or moirons. The related topographic bucklings, or "hills," have distinct carbon conformations and a height of 1.16 Å. The different moirons are observed with scanning tunneling microscopy (STM), and surface x-ray di