Physics – Condensed Matter – Materials Science
Scientific paper
2007-07-31
Phys. Rev. B 77, 045403 (2008)
Physics
Condensed Matter
Materials Science
tar gzip latex 4 pages 4 figures
Scientific paper
10.1103/PhysRevB.77.045403
We show that two graphene layers stacked directly on top of each other (AA stacking) form strong chemical bonds when the distance between planes is 0.156 nm. Simultaneously, C-C in-plane bonds are considerably weakened from partial double-bond (0.141 nm) to single bond (0.154 nm). This polymorphic form of graphene bilayer is meta-stable w.r.t. the one bound by van der Waals forces at a larger separation (0.335 nm) with an activation energy of 0.16 eV/cell. Similarly to the structure found in hexaprismane, C forms four single bonds in a geometry mixing 90^{0} and 120^{0} angles. Intermediate separations between layers can be stabilized under external anisotropic stresses showing a rich electronic structure changing from semimetal at van der Waals distance, to metal when compressed, to wide gap semiconductor at the meta-stable minimum.
de Andres Pedro L.
Ramirez Rafael
Verges Jose A.
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