2009/03/13 by M. Klintenberg, Mattias Klintenberg, Sébastien Lebègue +6 · 101 citations
Chemistry · Materials Science · Physics and Astronomy · #2D Materials and Applications #Chemistry #Composite material #Computational chemistry #Condensed matter physics #Density functional theory #Dielectric #Graphene #Graphene research and applications #Graphite #Materials science #Nanotechnology #Optoelectronics #Physics #Thermal properties of materials #cond-mat.mtrl-sci
paper · pdf · doi:10.1088/0953-8984/21/33/335502
published in Journal of Physics Condensed Matter 21(33), 335502 (IOP Publishing)
arxiv created 2009/03/13 · openalex publication_date 2009/07/27 · arxiv updated 2015/05/13 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/06
We have studied theoretically, using density functional theory, several material properties when going from one C layer in graphene to two and three graphene layers and on to graphite. The properties we have focused on are the elastic constants, electronic structure (energy bands and density of states), and the dielectric properties. For any of the properties we have investigated the modification due to an increase in the number of graphene layers is within a few per cent. Our results are in agreement with the analysis presented recently by Kopelevich and Esquinazi (unpublished).