3.8 Article

Interaction Energy between Graphene and a Silicon Substrate Using Pairwise Summation of the Lennard-Jones Potential

Journal

Publisher

SURFACE SCI SOC JAPAN
DOI: 10.1380/ejssnt.2017.40

Keywords

Construction and use of effective interatomic interactions; Atom-solid interactions; Carbon; Silicon; Silicon oxides

Funding

  1. Ministry of Education, Culture, Sports, Science and Technology [25390117]

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We consider the computation of a long-range interaction energy between a single graphene sheet and a silicon substrate, which arises from vacuum fluctuations. The interaction energy obtained by summation of the Lennard-Jones potential between a carbon atom in a single graphene sheet and a silicon atom is compared with the dispersion energy (Casimir energy) obtained by combining the Lifshitz theory and the Dirac model for graphene. Deviation of the pairwise summation of the Lennard-Jones potential from the Casimir energy is corrected by adding a power-function term, whose coefficient depends on the distance between atoms. We also consider the interaction between a graphene sheet and a silicon dioxide substrate.

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