Bonding Frustration in the 9.5 GPa fcc Polymeric C60 (Phys. Status Solidi RRL 12/2017). Issue 12 (14th December 2017)

• Record Type: Journal Article
• Authors: Laranjeira, Jorge; Marques, Leonel; Mezouar, Mohamed; Melle‐Franco, Manuel; Strutyński, Karol
• Is Part Of: Physica status solidi. Volume 11:Issue 12(2017)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2017-12-14
• Subjects: Solid state physics -- Periodicals; 530.4105
• DOI: 10.1002/pssr.201770365
• Languages: English
• ISSNs: 1862-6254

Abstract

Abstract : Assembling C60 molecules at high‐pressure and high‐temperature conditions creates novel three‐dimensional (3D) nanostructured carbon networks displaying outstanding physical properties, such as electronic conduction, low density and low compressibility, and high strength. A new face‐centered cubic (fcc) polymeric C60 was obtained at 9.5 GPa and 550 °C. Density functional theory calculations show that in these conditions each C60 molecule, having one of the two standard orientations compatible with cubic symmetry, establishes polymeric bonds with differently oriented neighboring molecules but not with similarly oriented neighboring molecules (see article no.1700343 by Laranjeira et al.). This polymeric bonding is, thus, analogous to the antiferromagnetic interaction in the Ising spin systems. However, the antiferromagnetic interactions are frustrated in the fcc lattice as they cannot be fully satisfied; in the ground state each site has eight satisfied antiferromagnetic bonds and four frustrated bonds. The C60 fcc polymer can, therefore, be mapped onto the classical frustrated Ising fcc antiferromagnet and joins a vast range of systems (magnets, colloids, ice, self‐assembled supramolecular structures… ) displaying geometrical frustration.