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

JYU authors or editors

Publication details

All authors or editors: Karlsson, Daniel; van Leeuwen, Robert; Pavlyukh, Yaroslav; Perfetto, Enrico; Stefanucci, Gianluca

Journal or series: Physical Review Letters

ISSN: 0031-9007

eISSN: 1079-7114

Publication year: 2021

Publication date: 15/07/2021

Volume: 127

Issue number: 3

Article number: 036402

Publisher: American Physical Society (APS)

Publication country: United States

Publication language: English

DOI: https://doi.org/10.1103/PhysRevLett.127.036402

Publication open access: Not open

Publication channel open access: 

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

Publication is parallel published: https://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.

Keywords: quantum physics; electrons; bosons; phonons; simulation; computational science

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Ministry reporting: Yes

Reporting Year: 2021

JUFO rating: 3