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Phase diagram of H-2 adsorbed on graphene
dc.contributor.author | Gordillo Bargueño, Maria Carmen |
dc.contributor.author | Boronat Medico, Jordi |
dc.contributor.other | Universitat Politècnica de Catalunya. Departament de Física i Enginyeria Nuclear |
dc.date.accessioned | 2010-07-20T16:19:11Z |
dc.date.available | 2010-07-20T16:19:11Z |
dc.date.created | 2010-04-15 |
dc.date.issued | 2010-04-15 |
dc.identifier.citation | Gordillo, M.; Boronat, J. Phase diagram of H-2 adsorbed on graphene. "Physical review B, condensed matter", 15 Abril 2010, vol. 81, núm. 15, p. 1-5. |
dc.identifier.issn | 0163-1829 |
dc.identifier.uri | http://hdl.handle.net/2117/8288 |
dc.description.abstract | The phase diagram of the first layer of H2 adsorbed on top of a single graphene sheet has been calculated by means of a series of diffusion Monte Carlo simulations. We have found that, as in the case of 4He, the ground state of molecular hydrogen is a √3×√3 commensurate structure, followed, upon a pressure increase, by an incommensurate triangular solid. A striped phase of intermediate density was also considered and found lying on top of the equilibrium curve separating both commensurate and incommensurate solids. |
dc.format.extent | 5 p. |
dc.language.iso | eng |
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.title | Phase diagram of H-2 adsorbed on graphene |
dc.type | Article |
dc.subject.lemac | Monte Carlo, Mètode de |
dc.contributor.group | Universitat Politècnica de Catalunya. SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity |
dc.identifier.doi | 10.1103/PhysRevB.81.155435 |
dc.relation.publisherversion | http://arxiv.org/PS_cache/arxiv/pdf/1005/1005.2115v1.pdf |
dc.rights.access | Open Access |
local.identifier.drac | 2521441 |
dc.description.version | Postprint (published version) |
local.citation.author | Gordillo, M.; Boronat, J. |
local.citation.publicationName | Physical review B, condensed matter |
local.citation.volume | 81 |
local.citation.number | 15 |
local.citation.startingPage | 1 |
local.citation.endingPage | 5 |
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