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dc.contributor.authorPavlyukh, Y.
dc.contributor.authorPerfetto, E.
dc.contributor.authorKarlsson, Daniel
dc.contributor.authorvan Leeuwen, Robert
dc.contributor.authorStefanucci, G.
dc.date.accessioned2022-06-21T10:33:12Z
dc.date.available2022-06-21T10:33:12Z
dc.date.issued2022
dc.identifier.citationPavlyukh, Y., Perfetto, E., Karlsson, D., van Leeuwen, R., & Stefanucci, G. (2022). Time-linear scaling nonequilibrium Green's function method for real-time simulations of interacting electrons and bosons. II : Dynamics of polarons and doublons. <i>Physical Review B</i>, <i>105</i>(12), Article 125135. <a href="https://doi.org/10.1103/PhysRevB.105.125135" target="_blank">https://doi.org/10.1103/PhysRevB.105.125135</a>
dc.identifier.otherCONVID_146530854
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/81930
dc.description.abstractNonequilibrium dynamics of the open chain Holstein-Hubbard model is studied using the linear time-scaling GKBA+ODE scheme developed in Pavlyukh et al. [Phys. Rev. B 105, 125134 (2022)]. We focus on the set of parameters relevant for photovoltaic materials, i.e., a pair of electrons interacting with phonons at the crossover between the adiabatic and antiadiabatic regimes and at moderately large electron-electron interaction. By comparing with exact solutions for two corner cases, we demonstrate the accuracy of the T matrix (in the pp channel) and the second-order Fan (GD) approximations for the treatment of electronic (e−e) and electron-phonon (e-ph) correlations, respectively. The feedback of electrons on phonons is consistently included and is shown to be mandatory for the total energy conservation. When two interactions are simultaneously present, our simulations offer a glimpse into the dynamics of doublons and polarons unveiling the formation, propagation and decay of these quasiparticles, energy redistribution between them and self-trapping of electrons.en
dc.format.mimetypeapplication/pdf
dc.language.isoeng
dc.publisherAmerican Physical Society (APS)
dc.relation.ispartofseriesPhysical Review B
dc.rightsIn Copyright
dc.titleTime-linear scaling nonequilibrium Green's function method for real-time simulations of interacting electrons and bosons. II : Dynamics of polarons and doublons
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-202206213537
dc.contributor.laitosFysiikan laitosfi
dc.contributor.laitosDepartment of Physicsen
dc.contributor.oppiaineNanoscience Centerfi
dc.contributor.oppiaineNanoscience Centeren
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.type.coarhttp://purl.org/coar/resource_type/c_2df8fbb1
dc.description.reviewstatuspeerReviewed
dc.relation.issn2469-9950
dc.relation.numberinseries12
dc.relation.volume105
dc.type.versionpublishedVersion
dc.rights.copyright©2022 American Physical Society
dc.rights.accesslevelopenAccessfi
dc.relation.grantnumber317139
dc.subject.ysokvanttifysiikka
dc.subject.ysofononit
dc.subject.ysoelektronit
dc.subject.ysosimulointi
dc.format.contentfulltext
jyx.subject.urihttp://www.yso.fi/onto/yso/p5564
jyx.subject.urihttp://www.yso.fi/onto/yso/p28089
jyx.subject.urihttp://www.yso.fi/onto/yso/p4030
jyx.subject.urihttp://www.yso.fi/onto/yso/p4787
dc.rights.urlhttp://rightsstatements.org/page/InC/1.0/?language=en
dc.relation.doi10.1103/PhysRevB.105.125135
dc.relation.funderResearch Council of Finlanden
dc.relation.funderSuomen Akatemiafi
jyx.fundingprogramAcademy Project, AoFen
jyx.fundingprogramAkatemiahanke, SAfi
jyx.fundinginformationWe acknowledge the financial support from MIUR PRIN (Grant No. 20173B72NB), from INFN through the TIME2QUEST project, and from Tor Vergata University through the Beyond Borders Project ULEXIEX. R.v.L. would like to thank the Finnish Academy for support under Project No. 317139.
dc.type.okmA1


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