A1 Journal article (refereed)
Fast Green’s Function Method for Ultrafast Electron-Boson Dynamics (2021)


Karlsson, D., van Leeuwen, R., Pavlyukh, Y., Perfetto, E., & Stefanucci, G. (2021). Fast Green’s Function Method for Ultrafast Electron-Boson Dynamics. Physical Review Letters, 127(3), Article 036402. https://doi.org/10.1103/PhysRevLett.127.036402


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Publication details

All authors or editorsKarlsson, Daniel; van Leeuwen, Robert; Pavlyukh, Yaroslav; Perfetto, Enrico; Stefanucci, Gianluca

Journal or seriesPhysical Review Letters

ISSN0031-9007

eISSN1079-7114

Publication year2021

Publication date15/07/2021

Volume127

Issue number3

Article number036402

PublisherAmerican Physical Society (APS)

Publication countryUnited States

Publication languageEnglish

DOIhttps://doi.org/10.1103/PhysRevLett.127.036402

Publication open accessNot open

Publication channel open access

Publication is parallel published (JYX)https://jyx.jyu.fi/handle/123456789/77165

Publication is parallel publishedhttps://arxiv.org/abs/2006.14965


Abstract

The interaction of electrons with quantized phonons and photons underlies the ultrafast dynamics of systems ranging from molecules to solids, and it gives rise to a plethora of physical phenomena experimentally accessible using time-resolved techniques. Green’s function methods offer an invaluable interpretation tool since scattering mechanisms of growing complexity can be selectively incorporated in the theory. Currently, however, real-time Green’s function simulations are either prohibitively expensive due to the cubic scaling with the propagation time or do neglect the feedback of electrons on the bosons, thus violating energy conservation. We put forward a computationally efficient Green’s function scheme which overcomes both limitations. The numerical effort scales linearly with the propagation time while the simultaneous dressing of electrons and bosons guarantees the fulfillment of all fundamental conservation laws. We present a real-time study of the phonon-driven relaxation dynamics in an optically excited narrow band-gap insulator, highlighting the nonthermal behavior of the phononic degrees of freedom. Our formulation paves the way to first-principles simulations of electron-boson systems with unprecedented long propagation times.


Keywordsquantum physicselectronsbosonsphononssimulationcomputational science


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Ministry reportingYes

Reporting Year2021

JUFO rating3


Last updated on 2024-03-04 at 19:55