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  Revealing ultrafast phonon mediated inter-valley scattering through transient absorption and high harmonic spectroscopies

Lively, K., Sato, S., Albareda Piquer, G., Rubio, A., & Kelly, A. (2024). Revealing ultrafast phonon mediated inter-valley scattering through transient absorption and high harmonic spectroscopies. Physical Review Research, 6(1): 013069. doi:10.1103/PhysRevResearch.6.013069.

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Item Permalink: https://hdl.handle.net/21.11116/0000-000D-5FC1-F Version Permalink: https://hdl.handle.net/21.11116/0000-000E-4491-1
Genre: Journal Article

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Supplemental Material: consists of si.pdf, si.tex, SI_bib.tex, and si.bbl, along with the pdf figures: 0.75K.pdf, convergence_nt_naive.pdf, convergence.pdf, depolarization_temp_SI.pdf, Mauri-recreation.pdf, Phonon_loss_distance.pdf. The si.pdf can be used as is, or recompiled with si.tex.
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 Creators:
Lively, K.1, 2, Author           
Sato, S.1, 3, Author           
Albareda Piquer, G.1, 4, Author           
Rubio, A.1, 5, Author           
Kelly, A.1, 6, Author           
Affiliations:
1Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266715              
2German Aerospace Center (DLR), Institute for Software Technology, Department of High-Performance Computing, ou_persistent22              
3Center for Computational Sciences, University of Tsukuba, ou_persistent22              
4Ideaded, Carrer de la Tecnologia, ou_persistent22              
5Center for Computational Quantum Physics (CCQ), Flatiron Institute, ou_persistent22              
6Hamburg Center for Ultrafast Imaging, Universität Hamburg, ou_persistent22              

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 Abstract: Processes involving ultrafast laser driven electron-phonon dynamics play a fundamental role in the response of quantum systems in a growing number of situations of interest, as evinced by phenomena such as strongly driven phase transitions and light driven engineering of material properties. To show how these processes can be captured from a computational perspective, we simulate the transient absorption spectra and high-harmonic generation signals associated with valley selective excitation and intraband charge-carrier relaxation in monolayer hexagonal boron nitride. We show that the multitrajectory Ehrenfest dynamics approach, implemented in combination with real-time time-dependent density-functional theory and tight-binding models, offers a simple, accurate, and efficient method to study ultrafast electron-phonon coupled phenomena in solids under diverse pump-probe regimes which can be easily incorporated into the majority of real-time ab initio software packages.

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Language(s): eng - English
 Dates: 2023-07-012023-12-052024-01-19
 Publication Status: Published online
 Pages: -
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 Table of Contents: -
 Rev. Type: Peer
 Identifiers: arXiv: 2306.16010
DOI: 10.1103/PhysRevResearch.6.013069
 Degree: -

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Project name : The authors would like to acknowledge Ofer Neufeld for helpful discussions on calculating the ellipticity of HHG signals, Jonathan Mannouch for helpful discussions about semiclassical dynamics, and Andrey Geondzhian for valuable discussions. We acknowledge financial support from the Cluster of Excellence “CUI: Advanced Imaging of Matter”- EXC 2056 - project ID 390715994, SFB-925 “Light induced dynamics and control of correlated quantum systems”—project 170620586 of the Deutsche Forschungsgemeinschaft (DFG) and Grupos Consolidados (IT1453-22). We acknowledge support from the Max Planck-New York City Center for Non-Equilibrium Quantum Phenomena. The Flatiron Institute is a division of the Simons Foundation.
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Title: Physical Review Research
  Abbreviation : Phys. Rev. Research
Source Genre: Journal
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Publ. Info: College Park, Maryland, United States : American Physical Society (APS)
Pages: - Volume / Issue: 6 (1) Sequence Number: 013069 Start / End Page: - Identifier: ISSN: 2643-1564
CoNE: https://pure.mpg.de/cone/journals/resource/2643-1564