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http://dspace.mediu.edu.my:8181/xmlui/handle/10261/2757| Title: | Strong covalent bonding between two graphene layers |
| Keywords: | few graphene layers |
| Publisher: | American Physical Society |
| Description: | 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 and 120 angles. Intermediate separations between layers can be stabilized under external anisotropic stresses showing a rich electronic structure changing from semi-metal at van der Waals distance, to metal when compressed, to wide gap semiconductor at the meta-stable minimum. Financed by CICYT under contracts MAT-2005-3866, MAT-2006-03741, FIS-2006-12117-C04-03,NAN-2004-09183-C10-08. We acknowledge the use of the Spanish Supercomputing Network and the CTI (CSIC). Peer reviewed |
| URI: | http://dspace.mediu.edu.my:8181/xmlui/handle/10261/2757 |
| Other Identifiers: | Phys Rev B 77 (4) 045403 (2008) http://hdl.handle.net/10261/2757 |
| Appears in Collections: | Digital Csic |
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