Multistable rippling of graphene on SiC: A Density Functional Theory study

26 Apr 2018 Cavallucci Tommaso Tozzini Valentina

Graphene monolayer grown by Si evaporation from the 0001 surface of SiC displays a moir\'e pattern of corrugation whose structure is ambiguous: different measurements and theoretical studies show either protruding bumps surrounded by valleys, or, reversely, wells surrounded by crests. Here we address the fine structure of monolayer graphene on SiC by means of Density Functional Theory, using a model including the full symmetry of the system and the substrate (1648 atoms) and therefore realistically reproducing the experimental sample... (read more)

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