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Zero-temperature phase diagram of D2 physisorbed on graphane
dc.contributor.author | Carbonell Coronado, Carmen |
dc.contributor.author | De Soto Borrera, Feliciano Carlos |
dc.contributor.author | Cazorla Silva, Claudio |
dc.contributor.author | Boronat Medico, Jordi |
dc.contributor.author | Gordillo Bargueño, Maria Carmen |
dc.contributor.other | Universitat Politècnica de Catalunya. Departament de Física i Enginyeria Nuclear |
dc.date.accessioned | 2013-11-28T17:56:18Z |
dc.date.created | 2013-10-06 |
dc.date.issued | 2013-10-06 |
dc.identifier.citation | Carbonell-Coronado, C. [et al.]. Zero-temperature phase diagram of D2 physisorbed on graphane. "Journal of physics: condensed matter", 06 Octubre 2013, vol. 25, núm. 44, p. 1-6. |
dc.identifier.issn | 0953-8984 |
dc.identifier.uri | http://hdl.handle.net/2117/20842 |
dc.description.abstract | We determined the zero-temperature phase diagram of D2 physisorbed on graphane using the diffusion Monte Carlo method. The substrate used was C-graphane, an allotropic form of the compound that has been experimentally obtained through hydrogenation of graphene. We found that the ground state is the δ phase, a commensurate structure observed experimentally when D2 is adsorbed on graphite, and not the registered structure characteristic of H2 on the same substrate. |
dc.format.extent | 6 p. |
dc.language.iso | eng |
dc.publisher | Institute Of Physics Publishing Ltd |
dc.rights | Attribution-NonCommercial-NoDerivs 3.0 Spain |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/3.0/es/ |
dc.subject | Àrees temàtiques de la UPC::Física |
dc.subject.lcsh | Monte Carlo method |
dc.subject.lcsh | Graphene |
dc.subject.lcsh | Condensed matter |
dc.subject.other | Allotropic forms |
dc.subject.other | Commensurate structure |
dc.subject.other | Diffusion Monte Carlo method |
dc.subject.other | Graphane |
dc.subject.other | Physisorbed |
dc.subject.other | Structure characteristic |
dc.subject.other | Zero temperatures |
dc.title | Zero-temperature phase diagram of D2 physisorbed on graphane |
dc.type | Article |
dc.subject.lemac | Montecarlo, Mètode de |
dc.subject.lemac | Grafé |
dc.subject.lemac | Matèria condensada |
dc.contributor.group | Universitat Politècnica de Catalunya. SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity |
dc.identifier.doi | 10.1088/0953-8984/25/44/445011 |
dc.relation.publisherversion | http://iopscience.iop.org/0953-8984/25/44/445011/ |
dc.rights.access | Restricted access - publisher's policy |
local.identifier.drac | 12908200 |
dc.description.version | Postprint (published version) |
dc.date.lift | 10000-01-01 |
local.citation.author | Carbonell-Coronado, C.; De Soto, F.; Cazorla, C.; Boronat, J.; Gordillo, M. C. |
local.citation.publicationName | Journal of physics: condensed matter |
local.citation.volume | 25 |
local.citation.number | 44 |
local.citation.startingPage | 1 |
local.citation.endingPage | 6 |
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