dc.contributor
Universitat Politècnica de Catalunya. Departament de Física
dc.contributor
Universitat Politècnica de Catalunya. CCQM - Condensed, Complex and Quantum Matter Group
dc.contributor.author
Gordillo Bargueño, Maria Carmen
dc.contributor.author
Boronat Medico, Jordi
dc.date.issued
2023-10-01
dc.identifier
Gordillo, M.C.; Boronat, J. Phases of He 4 and H2 adsorbed on doped graphene. "Physical review. B", 1 Octubre 2023, vol. 108, núm. article 134505.
dc.identifier
https://hdl.handle.net/2117/398344
dc.identifier
10.1103/PhysRevB.108.134505
dc.description.abstract
The influence of attractive boron impurities, embedded on a graphene sheet, on the phase diagrams of 4He and H2 adsorbed on top was studied using the diffusion Monte Carlo method. The doping of graphene was made by distributing the boron atoms following the same pattern found in an experimentally synthesized substrate. Our results show that while the different incommensurate solid phases of both adsorbates remain largely unchanged after doping, the liquid/gas equations of state are significantly different from the ones on pristine graphene. Doping graphene produces new translationally invariant stable phases for 4He, depending on the concentration of boron impurities, but makes the H2 ground state to remain solid. In addition, several new registered phases appear for both adsorbates.
dc.description.abstract
Postprint (published version)
dc.format
application/pdf
dc.publisher
American Physical Society (APS)
dc.relation
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.108.134505
dc.rights
http://creativecommons.org/licenses/by-nc-nd/4.0/
dc.rights
Restricted access - publisher's policy
dc.rights
Attribution-NonCommercial-NoDerivatives 4.0 International
dc.subject
Àrees temàtiques de la UPC::Física
dc.subject
Monte Carlo method
dc.subject
Diffusion Monte Carlo method
dc.subject
Quantum fluids & solids
dc.subject
Montecarlo, Mètode de
dc.title
Phases of He 4 and H2 adsorbed on doped graphene
