Theory of subcycle time-resolved photoemission: Application to terahertz photodressing in graphene

Schüler, Michael; Sentef, Michael A.

doi:10.1016/j.elspec.2021.147121

Theory of subcycle time-resolved photoemission: Application to terahertz photodressing in graphene

Journal Article · Sat Sep 25 00:00:00 EDT 2021 · Journal of Electron Spectroscopy and Related Phenomena

DOI:https://doi.org/10.1016/j.elspec.2021.147121· OSTI ID:1872106

^[1]; ^[2]

SLAC National Accelerator Lab., Menlo Park, CA (United States)
Max Planck Institute for the Structure and Dynamics of Matter, Hamburg (Germany)

Here, motivated by recent experimental progress we revisit the theory of pump–probe time- and angle-resolved photoemission spectroscopy (trARPES), which is one of the most powerful techniques to trace transient pump-driven modifications of the electronic properties. The pump-induced dynamics can be described in different gauges for the light–matter interaction. Standard minimal coupling leads to the velocity gauge, defined by linear coupling to the vector potential. In the context of tight-binding (TB) models, the Peierls substitution is the commonly employed scheme for single-band models. Multi-orbital extensions – including the coupling of the dipole moments to the electric field – have been introduced and tested recently. In this work, we derive the theory of time-resolved photoemission within both gauges from the perspective of nonequilibrium Green’s functions. This approach naturally incorporates the photoelectron continuum, which allows for a direct calculation of the observable photocurrent. Following this route we introduce gauge-invariant expressions for the time-resolved photoemission signal. The theory is applied to graphene pumped with short terahertz pulses, which we treat within a first-principles TB model. We investigate the gauge invariance and discuss typical effects observed in subcycle time-resolved photoemission. Our formalism is an ideal starting point for realistic trARPES simulations including scattering effects.

View Accepted Manuscript (DOE)

Research Organization:: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; Alexander von Humboldt Foundation; German Research Foundation (DFG)

Grant/Contract Number:: AC02-76SF00515

OSTI ID:: 1872106

Alternate ID(s):: OSTI ID: 1825126

Journal Information:: Journal of Electron Spectroscopy and Related Phenomena, Journal Name: Journal of Electron Spectroscopy and Related Phenomena Vol. 253; ISSN 0368-2048

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (62)

A First-Principles Time-Dependent Density Functional Theory Framework for Spin and Time-Resolved Angular-Resolved Photoelectron Spectroscopy in Periodic Systems De Giovannini, Umberto; Hübener, Hannes; Rubio, Angel Journal of Chemical Theory and Computation, Vol. 13, Issue 1 https://doi.org/10.1021/acs.jctc.6b00897	journal	December 2016
Time-resolved photoemission on the attosecond scale: opportunities and challenges Pazourek, Renate; Nagele, Stefan; Burgdörfer, Joachim Faraday Discussions, Vol. 163 https://doi.org/10.1039/c3fd00004d	journal	January 2013
Time-resolved ARPES with sub-15 fs temporal and near Fourier-limited spectral resolution Rohde, G.; Hendel, A.; Stange, A. Review of Scientific Instruments, Vol. 87, Issue 10 https://doi.org/10.1063/1.4963668	journal	October 2016
Gauge invariance in the theoretical description of time-resolved angle-resolved pump/probe photoemission spectroscopy Freericks, J. K.; Krishnamurthy, H. R.; Sentef, M. A. Physica Scripta, Vol. T165 https://doi.org/10.1088/0031-8949/2015/t165/014012	journal	October 2015
Floquet engineering of 2D materials Kibis, O. V.; Iorsh, I. V.; Shelykh, I. A. Journal of Physics: Conference Series, Vol. 1461, Issue 1 https://doi.org/10.1088/1742-6596/1461/1/012064	journal	March 2020
Ab initio angle- and energy-resolved photoelectron spectroscopy with time-dependent density-functional theory De Giovannini, U.; Varsano, D.; Marques, M. A. L. Physical Review A, Vol. 85, Issue 6 https://doi.org/10.1103/physreva.85.062515	journal	June 2012
Cavity quantum electrodynamics of strongly correlated electron systems: A no-go theorem for photon condensation Andolina, G. M.; Pellegrino, F. M. D.; Giovannetti, V. Physical Review B, Vol. 100, Issue 12 https://doi.org/10.1103/physrevb.100.121109	journal	September 2019
Theoretical Description of Time-Resolved Photoemission Spectroscopy: Application to Pump-Probe Experiments Freericks, J. K.; Krishnamurthy, H. R.; Pruschke, Th. Physical Review Letters, Vol. 102, Issue 13 https://doi.org/10.1103/physrevlett.102.136401	journal	March 2009
Many-Body Dynamics and Gap Opening in Interacting Periodically Driven Systems Kandelaki, Ervand; Rudner, Mark S. Physical Review Letters, Vol. 121, Issue 3 https://doi.org/10.1103/physrevlett.121.036801	journal	July 2018
Laser-Assisted Photoelectric Effect from Surfaces Miaja-Avila, L.; Lei, C.; Aeschlimann, M. Physical Review Letters, Vol. 97, Issue 11 https://doi.org/10.1103/physrevlett.97.113604	journal	September 2006
Pump-driven normal-to-excitonic insulator transition: Josephson oscillations and signatures of BEC-BCS crossover in time-resolved ARPES Perfetto, E.; Sangalli, D.; Marini, A. Physical Review Materials, Vol. 3, Issue 12 https://doi.org/10.1103/physrevmaterials.3.124601	journal	December 2019
Colloquium: Nonthermal pathways to ultrafast control in quantum materials de la Torre, Alberto; Kennes, Dante M.; Claassen, Martin Deutsches Elektronen-Synchrotron, DESY, Hamburg https://doi.org/10.3204/pubdb-2021-04112	text	January 2021
Floquet topological phase of nondriven $p$-wave nonequilibrium excitonic insulators Perfetto, E.; Stefanucci, G. arXiv https://doi.org/10.48550/arxiv.2001.08921	text	January 2020
On the survival of Floquet-Bloch states in the presence of scattering Aeschlimann, S.; Sato, S. A.; Krause, R. arXiv https://doi.org/10.48550/arxiv.2102.12798	text	January 2021
Data archive of "Subcycle observation of lightwave-driven Dirac currents in a topological surface band" Reimann, J.; Schlauderer, Stefan; Schmid, Christoph P. Universität Regensburg https://doi.org/10.5283/epub.43907	dataset	January 2018
Zur Theorie des Diamagnetismus von Leitungselektronen Peierls, R. Zeitschrift f�r Physik, Vol. 80, Issue 11-12 https://doi.org/10.1007/BF01342591	journal	November 1933
An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions Mostofi, Arash A.; Yates, Jonathan R.; Pizzi, Giovanni Computer Physics Communications, Vol. 185, Issue 8 https://doi.org/10.1016/j.cpc.2014.05.003	journal	August 2014
The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table van Setten, M. J.; Giantomassi, M.; Bousquet, E. Computer Physics Communications, Vol. 226 https://doi.org/10.1016/j.cpc.2018.01.012	journal	May 2018
NESSi: The Non-Equilibrium Systems Simulation package Schüler, Michael; Golež, Denis; Murakami, Yuta Computer Physics Communications, Vol. 257 https://doi.org/10.1016/j.cpc.2020.107484	journal	December 2020
Monitoring Electron-Photon Dressing in WSe ₂ De Giovannini, Umberto; Hübener, Hannes; Rubio, Angel Nano Letters, Vol. 16, Issue 12 https://doi.org/10.1021/acs.nanolett.6b04419	journal	November 2016
All-optical materials design of chiral edge modes in transition-metal dichalcogenides Claassen, Martin; Jia, Chunjing; Moritz, Brian Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms13074	journal	October 2016
Creating stable Floquet–Weyl semimetals by laser-driving of 3D Dirac materials Hübener, Hannes; Sentef, Michael A.; De Giovannini, Umberto Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/ncomms13940	journal	January 2017
Theory of Floquet band formation and local pseudospin textures in pump-probe photoemission of graphene Sentef, M. A.; Claassen, M.; Kemper, A. F. Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms8047	journal	May 2015
Towards properties on demand in quantum materials Basov, D. N.; Averitt, R. D.; Hsieh, D. Nature Materials, Vol. 16, Issue 11 https://doi.org/10.1038/nmat5017	journal	October 2017
Sub-cycle control of terahertz high-harmonic generation by dynamical Bloch oscillations Schubert, O.; Hohenleutner, M.; Langer, F. Nature Photonics, Vol. 8, Issue 2 https://doi.org/10.1038/nphoton.2013.349	journal	January 2014
Selective scattering between Floquet–Bloch and Volkov states in a topological insulator Mahmood, Fahad; Chan, Ching-Kit; Alpichshev, Zhanybek Nature Physics, Vol. 12, Issue 4 https://doi.org/10.1038/nphys3609	journal	January 2016
All-optical nonequilibrium pathway to stabilising magnetic Weyl semimetals in pyrochlore iridates Topp, Gabriel E.; Tancogne-Dejean, Nicolas; Kemper, Alexander F. Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-06991-8	journal	October 2018
Coherent multidimensional photoelectron spectroscopy of ultrafast quasiparticle dressing by light Reutzel, Marcel; Li, Andi; Wang, Zehua Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-16064-4	journal	May 2020
Theoretical understanding of photon spectroscopies in correlated materials in and out of equilibrium Wang, Yao; Claassen, Martin; Pemmaraju, Chaitanya Das Nature Reviews Materials, Vol. 3, Issue 9 https://doi.org/10.1038/s41578-018-0046-3	journal	August 2018
Subcycle observation of lightwave-driven Dirac currents in a topological surface band Reimann, J.; Schlauderer, S.; Schmid, C. P. Nature, Vol. 562, Issue 7727 https://doi.org/10.1038/s41586-018-0544-x	journal	September 2018
Angle-resolved photoemission spectroscopy and its application to topological materials Lv, Baiqing; Qian, Tian; Ding, Hong Nature Reviews Physics, Vol. 1, Issue 10 https://doi.org/10.1038/s42254-019-0088-5	journal	August 2019
Band structure engineering and non-equilibrium dynamics in Floquet topological insulators Rudner, Mark S.; Lindner, Netanel H. Nature Reviews Physics, Vol. 2, Issue 5 https://doi.org/10.1038/s42254-020-0170-z	journal	May 2020
High resolution time- and angle-resolved photoemission spectroscopy with 11 eV laser pulses Lee, Changmin; Rohwer, Timm; Sie, Edbert J. Review of Scientific Instruments, Vol. 91, Issue 4 https://doi.org/10.1063/1.5139556	journal	April 2020
Gauge invariance in the theoretical description of time-resolved angle-resolved pump/probe photoemission spectroscopy Freericks, J. K.; Krishnamurthy, H. R.; Sentef, M. A. Physica Scripta, Vol. T165 https://doi.org/10.1088/0031-8949/2015/T165/014012	journal	October 2015
Ab initio angle- and energy-resolved photoelectron spectroscopy with time-dependent density-functional theory De Giovannini, U.; Varsano, D.; Marques, M. A. L. Physical Review A, Vol. 85, Issue 6 https://doi.org/10.1103/PhysRevA.85.062515	journal	June 2012
Quench dynamics and Hall response of interacting Chern insulators Schüler, Michael; Budich, Jan Carl; Werner, Philipp Physical Review B, Vol. 100, Issue 4 https://doi.org/10.1103/PhysRevB.100.041101	journal	July 2019
Cavity quantum electrodynamics of strongly correlated electron systems: A no-go theorem for photon condensation Andolina, G. M.; Pellegrino, F. M. D.; Giovannetti, V. Physical Review B, Vol. 100, Issue 12 https://doi.org/10.1103/PhysRevB.100.121109	journal	September 2019
Multiband nonequilibrium G W + EDMFT formalism for correlated insulators Golež, Denis; Eckstein, Martin; Werner, Philipp Physical Review B, Vol. 100, Issue 23 https://doi.org/10.1103/PhysRevB.100.235117	journal	December 2019
Time-resolved ARPES spectra of nonequilibrium excitonic insulators: Revealing macroscopic coherence with ultrashort pulses Perfetto, E.; Bianchi, S.; Stefanucci, G. Physical Review B, Vol. 101, Issue 4 https://doi.org/10.1103/PhysRevB.101.041201	journal	January 2020
Collective modes in excitonic insulators: Effects of electron-phonon coupling and signatures in the optical response Murakami, Yuta; Golež, Denis; Kaneko, Tatsuya Physical Review B, Vol. 101, Issue 19 https://doi.org/10.1103/PhysRevB.101.195118	journal	May 2020
Electromagnetic coupling in tight-binding models for strongly correlated light and matter Li, Jiajun; Golez, Denis; Mazza, Giacomo Physical Review B, Vol. 101, Issue 20 https://doi.org/10.1103/PhysRevB.101.205140	journal	May 2020
Theory of photon condensation in a spatially varying electromagnetic field Andolina, G. M.; Pellegrino, F. M. D.; Giovannetti, V. Physical Review B, Vol. 102, Issue 12 https://doi.org/10.1103/PhysRevB.102.125137	journal	September 2020
Electromagnetic dressing of the electron energy spectrum of Au(111) at high momenta Keunecke, Marius; Reutzel, Marcel; Schmitt, David Physical Review B, Vol. 102, Issue 16 https://doi.org/10.1103/PhysRevB.102.161403	journal	October 2020
Gauge invariance of light-matter interactions in first-principle tight-binding models Schüler, Michael; Marks, Jacob A.; Murakami, Yuta Physical Review B, Vol. 103, Issue 15 https://doi.org/10.1103/PhysRevB.103.155409	journal	April 2021
Consequences of local gauge symmetry in empirical tight-binding theory Foreman, Bradley A. Physical Review B, Vol. 66, Issue 16 https://doi.org/10.1103/PhysRevB.66.165212	journal	October 2002
Spectral and Fermi surface properties from Wannier interpolation Yates, Jonathan R.; Wang, Xinjie; Vanderbilt, David Physical Review B, Vol. 75, Issue 19 https://doi.org/10.1103/PhysRevB.75.195121	journal	May 2007
Illuminating the dark corridor in graphene: Polarization dependence of angle-resolved photoemission spectroscopy on graphene Gierz, Isabella; Henk, Jürgen; Höchst, Hartmut Physical Review B, Vol. 83, Issue 12 https://doi.org/10.1103/PhysRevB.83.121408	journal	March 2011
Transport properties of nonequilibrium systems under the application of light: Photoinduced quantum Hall insulators without Landau levels Kitagawa, Takuya; Oka, Takashi; Brataas, Arne Physical Review B, Vol. 84, Issue 23 https://doi.org/10.1103/PhysRevB.84.235108	journal	December 2011
Microscopic theory for the light-induced anomalous Hall effect in graphene Sato, S. A.; McIver, J. W.; Nuske, M. Physical Review B, Vol. 99, Issue 21 https://doi.org/10.1103/PhysRevB.99.214302	journal	June 2019
Microscopic polarization and magnetization fields in extended systems Mahon, Perry T.; Muniz, Rodrigo A.; Sipe, J. E. Physical Review B, Vol. 99, Issue 23 https://doi.org/10.1103/PhysRevB.99.235140	journal	June 2019
Theoretical Description of Time-Resolved Photoemission Spectroscopy: Application to Pump-Probe Experiments Freericks, J. K.; Krishnamurthy, H. R.; Pruschke, Th. Physical Review Letters, Vol. 102, Issue 13 https://doi.org/10.1103/PhysRevLett.102.136401	journal	March 2009
Tracking Primary Thermalization Events in Graphene with Photoemission at Extreme Time Scales Gierz, I.; Calegari, F.; Aeschlimann, S. Physical Review Letters, Vol. 115, Issue 8 https://doi.org/10.1103/PhysRevLett.115.086803	journal	August 2015
Many-Body Dynamics and Gap Opening in Interacting Periodically Driven Systems Kandelaki, Ervand; Rudner, Mark S. Physical Review Letters, Vol. 121, Issue 3 https://doi.org/10.1103/PhysRevLett.121.036801	journal	July 2018
Superradiant Quantum Materials Mazza, Giacomo; Georges, Antoine Physical Review Letters, Vol. 122, Issue 1 https://doi.org/10.1103/PhysRevLett.122.017401	journal	January 2019
Floquet Topological Phase of Nondriven p -Wave Nonequilibrium Excitonic Insulators Perfetto, E.; Stefanucci, G. Physical Review Letters, Vol. 125, Issue 10 https://doi.org/10.1103/PhysRevLett.125.106401	journal	September 2020
Coupling of Nonlocal Potentials to Electromagnetic Fields Ismail-Beigi, Sohrab; Chang, Eric K.; Louie, Steven G. Physical Review Letters, Vol. 87, Issue 8 https://doi.org/10.1103/PhysRevLett.87.087402	journal	August 2001
Laser-Assisted Photoelectric Effect from Surfaces Miaja-Avila, L.; Lei, C.; Aeschlimann, M. Physical Review Letters, Vol. 97, Issue 11 https://doi.org/10.1103/PhysRevLett.97.113604	journal	September 2006
Topological Floquet engineering of twisted bilayer graphene Topp, Gabriel E.; Jotzu, Gregor; McIver, James W. Physical Review Research, Vol. 1, Issue 2 https://doi.org/10.1103/PhysRevResearch.1.023031	journal	September 2019
Local Berry curvature signatures in dichroic angle-resolved photoelectron spectroscopy from two-dimensional materials Schüler, Michael; De Giovannini, Umberto; Hübener, Hannes Science Advances, Vol. 6, Issue 9 https://doi.org/10.1126/sciadv.aay2730	journal	February 2020
Observation of Floquet-Bloch States on the Surface of a Topological Insulator Wang, Y. H.; Steinberg, H.; Jarillo-Herrero, P. Science, Vol. 342, Issue 6157, p. 453-457 https://doi.org/10.1126/science.1239834	journal	October 2013
Floquet Engineering of Quantum Materials Oka, Takashi; Kitamura, Sota Annual Review of Condensed Matter Physics, Vol. 10, Issue 1 https://doi.org/10.1146/annurev-conmatphys-031218-013423	journal	March 2019
Ultrafast angle-resolved photoemission spectroscopy of quantum materials Smallwood, Christopher L.; Kaindl, Robert A.; Lanzara, Alessandra EPL (Europhysics Letters), Vol. 115, Issue 2 https://doi.org/10.1209/0295-5075/115/27001	journal	July 2016

Similar Records

Gauge invariance in the theoretical description of time-resolved angle-resolved pump/probe photoemission spectroscopy

Journal Article · Thu Oct 01 00:00:00 EDT 2015 · Physica Scripta · OSTI ID:1270633

Gauge invariance in the theoretical description of time-resolved angle-resolved pump/probe photoemission spectroscopy

Journal Article · Wed Oct 07 00:00:00 EDT 2015 · Physica Scripta · OSTI ID:1783718

Amplitude mode oscillations in pump-probe photoemission spectra from a

d

-wave superconductor

Journal Article · Sun Nov 19 23:00:00 EST 2017 · Physical Review B · OSTI ID:1418091

Related Subjects

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS
graphene
nonequilibrium Green’s functions
time- and angle-resolved photoemission

Theory of subcycle time-resolved photoemission: Application to terahertz photodressing in graphene

Citation Formats

References (62)

Similar Records

Related Subjects