Zero-temperature phase diagram of the second layer of 4He adsorbed on graphene

The phase diagram at zero temperature of 4He adsorbed on a helium incommensurate triangular solid on top of a single graphene sheet has been obtained using the diffusion Monte Carlo method. We have found that, in accordance with previous experimental and simulation results for graphite, the ground s...

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Authors: Gordillo Bargueño, Maria Carmen|||0000-0003-1521-483X, Boronat Medico, Jordi|||0000-0002-0273-3457
Format: article
Publication Date:2012
Country:España
Institution:Universitat Politècnica de Catalunya (UPC)
Repository:UPCommons. Portal del coneixement obert de la UPC
Language:English
OAI Identifier:oai:upcommons.upc.edu:2117/16697
Online Access:https://hdl.handle.net/2117/16697
https://dx.doi.org/10.1103/PhysRevB.85.195457
Access Level:Open access
Keyword:Graphene
Monte Carlo method
Grafè
Montecarlo, Mètode de
Àrees temàtiques de la UPC::Física
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spelling Zero-temperature phase diagram of the second layer of 4He adsorbed on grapheneGordillo Bargueño, Maria Carmen|||0000-0003-1521-483XBoronat Medico, Jordi|||0000-0002-0273-3457GrapheneMonte Carlo methodGrafèMontecarlo, Mètode deÀrees temàtiques de la UPC::FísicaThe phase diagram at zero temperature of 4He adsorbed on a helium incommensurate triangular solid on top of a single graphene sheet has been obtained using the diffusion Monte Carlo method. We have found that, in accordance with previous experimental and simulation results for graphite, the ground state of 4He on this setup is a liquid that, upon compression, transforms into a triangular solid. To define the stability limits of both liquid and solid phases, we considered not only the adsorption energies of the atoms located on the second layer but the average energy of the atoms in both layers. Our results show that the lower density limit for a stable liquid in the second layer is 0.163±0.005 Å−2 and that the lower limit for the existence of an incommensurate solid on the second layer is 0.186±0.003 Å−2. Both values are in overall agreement with the results of torsional oscillator experiments and heat capacity measurements on graphite. The 4/7 and 7/12 registered solids are found to be metastable with respect to triangular incommensurate arrangements of the same density.20122012-05-2520122012-10-09journal articlehttp://purl.org/coar/resource_type/c_6501VoRhttp://purl.org/coar/version/c_970fb48d4fbd8a85info:eu-repo/semantics/articleapplication/pdfhttps://hdl.handle.net/2117/16697https://dx.doi.org/10.1103/PhysRevB.85.195457reponame:UPCommons. Portal del coneixement obert de la UPCinstname:Universitat Politècnica de Catalunya (UPC)Inglésengopen accesshttp://purl.org/coar/access_right/c_abf2Attribution-NonCommercial-NoDerivs 3.0 Spainhttp://creativecommons.org/licenses/by-nc-nd/3.0/es/info:eu-repo/semantics/openAccessoai:upcommons.upc.edu:2117/166972026-05-27T15:37:01Z
dc.title.none.fl_str_mv Zero-temperature phase diagram of the second layer of 4He adsorbed on graphene
title Zero-temperature phase diagram of the second layer of 4He adsorbed on graphene
spellingShingle Zero-temperature phase diagram of the second layer of 4He adsorbed on graphene
Gordillo Bargueño, Maria Carmen|||0000-0003-1521-483X
Graphene
Monte Carlo method
Grafè
Montecarlo, Mètode de
Àrees temàtiques de la UPC::Física
title_short Zero-temperature phase diagram of the second layer of 4He adsorbed on graphene
title_full Zero-temperature phase diagram of the second layer of 4He adsorbed on graphene
title_fullStr Zero-temperature phase diagram of the second layer of 4He adsorbed on graphene
title_full_unstemmed Zero-temperature phase diagram of the second layer of 4He adsorbed on graphene
title_sort Zero-temperature phase diagram of the second layer of 4He adsorbed on graphene
dc.creator.none.fl_str_mv Gordillo Bargueño, Maria Carmen|||0000-0003-1521-483X
Boronat Medico, Jordi|||0000-0002-0273-3457
author Gordillo Bargueño, Maria Carmen|||0000-0003-1521-483X
author_facet Gordillo Bargueño, Maria Carmen|||0000-0003-1521-483X
Boronat Medico, Jordi|||0000-0002-0273-3457
author_role author
author2 Boronat Medico, Jordi|||0000-0002-0273-3457
author2_role author
dc.subject.none.fl_str_mv Graphene
Monte Carlo method
Grafè
Montecarlo, Mètode de
Àrees temàtiques de la UPC::Física
topic Graphene
Monte Carlo method
Grafè
Montecarlo, Mètode de
Àrees temàtiques de la UPC::Física
description The phase diagram at zero temperature of 4He adsorbed on a helium incommensurate triangular solid on top of a single graphene sheet has been obtained using the diffusion Monte Carlo method. We have found that, in accordance with previous experimental and simulation results for graphite, the ground state of 4He on this setup is a liquid that, upon compression, transforms into a triangular solid. To define the stability limits of both liquid and solid phases, we considered not only the adsorption energies of the atoms located on the second layer but the average energy of the atoms in both layers. Our results show that the lower density limit for a stable liquid in the second layer is 0.163±0.005 Å−2 and that the lower limit for the existence of an incommensurate solid on the second layer is 0.186±0.003 Å−2. Both values are in overall agreement with the results of torsional oscillator experiments and heat capacity measurements on graphite. The 4/7 and 7/12 registered solids are found to be metastable with respect to triangular incommensurate arrangements of the same density.
publishDate 2012
dc.date.none.fl_str_mv 2012
2012-05-25
2012
2012-10-09
dc.type.none.fl_str_mv journal article
http://purl.org/coar/resource_type/c_6501
VoR
http://purl.org/coar/version/c_970fb48d4fbd8a85
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv https://hdl.handle.net/2117/16697
https://dx.doi.org/10.1103/PhysRevB.85.195457
url https://hdl.handle.net/2117/16697
https://dx.doi.org/10.1103/PhysRevB.85.195457
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
Attribution-NonCommercial-NoDerivs 3.0 Spain
http://creativecommons.org/licenses/by-nc-nd/3.0/es/
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2
Attribution-NonCommercial-NoDerivs 3.0 Spain
http://creativecommons.org/licenses/by-nc-nd/3.0/es/
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.source.none.fl_str_mv reponame:UPCommons. Portal del coneixement obert de la UPC
instname:Universitat Politècnica de Catalunya (UPC)
instname_str Universitat Politècnica de Catalunya (UPC)
reponame_str UPCommons. Portal del coneixement obert de la UPC
collection UPCommons. Portal del coneixement obert de la UPC
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