Role of dispersion forces in the structure of graphene monolayers on Ru surfaces
Entity
UAM. Departamento de Física de la Materia Condensada; UAM. Departamento de QuímicaPublisher
American Physical SocietyDate
2011-05-05Citation
10.1103/PhysRevLett.106.186102
Physical Review Letters 106.18 (2011): 186102
ISSN
0031-9007 (print); 1079-7114 (online)DOI
10.1103/PhysRevLett.106.186102Funded by
We thank Mare Nostrum BSC and CCC-UAM for computer time. Work supported by the MICINN projects FIS2010-15127, FIS2010-18847, CTQ2010-17006, FIS2010-19609-C02-00, ACI2008-0777, 2010C-07- 25200, and CSD2007-00010, the CAM program NANOBIOMAGNET S2009/MAT1726, and the Gobierno Vasco—UPV/EHU project IT-366-07Project
Gobierno de España. FIS2010-15127; Gobierno de España. FIS2010-18847; Gobierno de España. CTQ2010-17006; Gobierno de España. FIS2010-19609-C02-00; Gobierno de España. ACI2008-0777; Gobierno de España. CSD2007-00010; Comunidad de Madrid. S2009/MAT-1726/NANOBIOMAGNET; Gobierno de España. 2010C-07-25200Editor's Version
http://dx.doi.org/10.1103/PhysRevLett.106.186102Subjects
FísicaRights
© 2011 American Physical SocietyAbstract
Elaborate density functional theory (DFT) calculations that include the effect of van der Waals (vdW) interactions have been carried out for graphene epitaxially grown on Ru(0001). The calculations predict a reduction of structural corrugation in the observed moiré pattern of about 25% (∼0.4 Å) with respect to DFT calculations without vdW corrections. The simulated STM topographies are close to the experimental ones in a wide range of bias voltage around the Fermi level
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Google Scholar:Stradi, D.
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Barja, S.
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Díaz Oliva, Cristina
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Garnica, M.
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Borca, B.
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Hinarejos, J. J.
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Sánchez-Portal, D.
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Alcamí Pertejo, Manuel
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Arnau, A.
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Vázquez De Parga, A. L.
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Miranda Soriano, Rodolfo
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Martín García, Fernando
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