Details

Autor(en) / Beteiligte

• Pozzo, Monica
• Alfè, Dario
• Lacovig, Paolo
• Hofmann, Philip
• Lizzit, Silvano
• Baraldi, Alessandro

Titel

Thermal expansion of supported and freestanding graphene: lattice constant versus interatomic distance

Ist Teil von

• Physical review letters, 2011-03, Vol.106 (13), p.135501-135501, Article 135501

Ort / Verlag

United States: American Physical Society (APS)

Erscheinungsjahr

2011

Link zum Volltext

Quelle

American Physical Society Journals

Beschreibungen/Notizen

• By using ab initio molecular dynamics calculations, we show that even where the graphene lattice constant contracts, as previously reported for freestanding graphene below room temperature, the average carbon-carbon distance increases with temperature, in both free and supported graphene. This results in a larger corrugation at higher temperature, which can affect the interaction between graphene and the supporting substrate. For a weakly interacting system as graphene/Ir(111), we confirm the results using an experimental approach which gives direct access to interatomic distances.