Rotation misorientated graphene moire superlattices on Cu(111): classical molecular dynamics simulations and scanning tunneling microscopy studies
| Autor: | Péter Süle, Chanyong Hwang, Levente Tapasztó, Márton Szendrő |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2014 |
| Předmět: |
Condensed Matter - Materials Science
Materials science Field (physics) Condensed matter physics Misorientation Graphene Superlattice Materials Science (cond-mat.mtrl-sci) FOS: Physical sciences General Chemistry law.invention symbols.namesake Molecular dynamics law symbols General Materials Science Density functional theory van der Waals force Scanning tunneling microscope |
| Popis: | Graphene on copper is a system of high technological relevance, as Cu is one of the most widely used substrates for the CVD growth of graphene. However, very little is known about the details of their interaction. One approach to gain such information is studying the superlattices emerging due to the mismatch of the two crystal lattices. However, graphene on copper is a low-corrugated system making both their experimental and theoretical study highly challenging. Here, we report the observation of a new rotational Moire superlattice of CVD graphene on Cu (111), characterized by a periodicity of $1.5 \pm 0.05$ nm and corrugation of $0.15 \pm 0.05$ $\hbox{\AA}$ , as measured by Scanning Tunneling Microscopy. To understand the observed superlattice we have developed a newly parameterized Tersoff-potential for the graphene/Cu (111) interface fitted to nonlocal van der Waals density functional theory (DFT) calculations. The interfacial force field with time-lapsed CMD provides superlattices in good quantitative agreement with the experimental results, for a misorientation angle of $10.4 \pm 0.5,^{\circ}$ without any further parameter adjustment. Furthermore, the CMD simulations predict the existence of two non-equivalent high-symmetry directions of the Moir\'e pattern that could also be identified in the experimental STM images. Comment: 7 pages, 2 figures, 2 tables |
| Databáze: | OpenAIRE |
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