Modelling moiré superlattice and gap opening in graphene

Rövid cím: 
Modelling moiré superlattice in graphene
2017. 03. 24. 10:15
BME Fizikai Intézet, Elméleti Fizika Tanszék, Budafoki út 8. F-épület, III lépcsőház, szemináriumi szoba
Péter Süle (MTA EK MFA)

Our aim was to reproduce various properties of moiré superlattice (MSL) of 2D materials on Au(111) support. Results will be reported on electronic structure, topography and lattice distortions of various moiré superstructures. In particular, special attention is paid to the structural reproduction of MSL recorded by STM using our DFT adaptive classical force fields [1] as well as standard DFT calculations. Band structure and DOS of various strain induced distorted nanostructures will be presented for different corrugated systems such as nanodomes. The possible physics behind gap opening will also be discussed [3]. We also outline results on the convexity of graphene MSL on Au(111) [2] focusing on the nanoscale coexitence of convex-concave MSL. We also explain theoretically the experimentally observed anomalously large MSL of graphene on Au(111) as nearly commensurate superstructures [4].


[1] P. Süle, M. Szendrő, Modell. Simul. Mater. Sci. Eng. 23, 25001 (2015), P. Süle et. al., Carbon 77, 1082. (2014).

[2] P. Süle et al., Nano Lett. 15, 8295. (2015)

[3] P. Süle et al., unpublished (2017)

[4] A. Pálinkás et al. Carbon 107, 792. (2016)