| dc.creator |
Andres, P. L. de |
|
| dc.creator |
Ramírez, Rafael |
|
| dc.creator |
Vergés, José A. |
|
| dc.date |
2008-01-29T13:44:55Z |
|
| dc.date |
2008-01-29T13:44:55Z |
|
| dc.date |
2008-01-14 |
|
| dc.date.accessioned |
2017-01-31T00:59:50Z |
|
| dc.date.available |
2017-01-31T00:59:50Z |
|
| dc.identifier |
Phys Rev B 77 (4) 045403 (2008) |
|
| dc.identifier |
http://hdl.handle.net/10261/2757 |
|
| dc.identifier.uri |
http://dspace.mediu.edu.my:8181/xmlui/handle/10261/2757 |
|
| dc.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. |
|
| dc.description |
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). |
|
| dc.description |
Peer reviewed |
|
| dc.format |
212701 bytes |
|
| dc.format |
application/pdf |
|
| dc.language |
eng |
|
| dc.publisher |
American Physical Society |
|
| dc.rights |
openAccess |
|
| dc.subject |
few graphene layers |
|
| dc.title |
Strong covalent bonding between two graphene layers |
|
| dc.type |
Artículo |
|