Ultrafast X-Ray Absorption Spectroscopy of Strongly Correlated Systems: Core Hole Effect
Abstract
Recently, ultrafast pump-probe spectroscopy has provided insightful information about the nonequilibrium dynamics of excitations in materials. In a typical experiment of time-resolved x-ray absorption spectroscopy, the systems are excited by a femtosecond laser pulse (pump pulse) followed by an x-ray probe pulse after a time delay to measure the absorption spectra of the photoexcited systems. We present a theory for nonequilibrium x-ray absorption spectroscopy in one-dimensional strongly correlated systems. The core hole created by the x ray is modeled as an additional effective potential of the core hole site, which changes the spectrum qualitatively. In equilibrium, the spectrum reveals the charge gap at half-filling and the metal-insulator transition in the presence of the core hole effect. Moreover, a pump-probe scheme is introduced to drive the system out of equilibrium before the x-ray probe. The effects of the pump pulse with varying frequencies, shapes, and fluences are discussed for the dynamics of strongly correlated systems in and out of resonance. The spectrum suggests that the driven insulating state has a metallic droplet around the core hole. The rich structures of the nonequilibrium x-ray absorption spectrum give more insight into the dynamics of electronic structures.
- Publication Date:
- Research Org.:
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA), Office of Defense Nuclear Nonproliferation; USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division
- OSTI Identifier:
- 1529534
- Alternate Identifier(s):
- OSTI ID: 1515106
- Report Number(s):
- LA-UR-17-29749
Journal ID: ISSN 0031-9007; PRLTAO
- Grant/Contract Number:
- 89233218CNA000001
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review Letters
- Additional Journal Information:
- Journal Volume: 122; Journal Issue: 20; Conference: APS March Meeting, Los Angeles, CA (United States), 5 March 2018; Journal ID: ISSN 0031-9007
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS
Citation Formats
Lai, Chen-Yen, and Zhu, Jian-Xin. Ultrafast X-Ray Absorption Spectroscopy of Strongly Correlated Systems: Core Hole Effect. United States: N. p., 2019.
Web. doi:10.1103/PhysRevLett.122.207401.
Lai, Chen-Yen, & Zhu, Jian-Xin. Ultrafast X-Ray Absorption Spectroscopy of Strongly Correlated Systems: Core Hole Effect. United States. https://doi.org/10.1103/PhysRevLett.122.207401
Lai, Chen-Yen, and Zhu, Jian-Xin. Wed .
"Ultrafast X-Ray Absorption Spectroscopy of Strongly Correlated Systems: Core Hole Effect". United States. https://doi.org/10.1103/PhysRevLett.122.207401. https://www.osti.gov/servlets/purl/1529534.
@article{osti_1529534,
title = {Ultrafast X-Ray Absorption Spectroscopy of Strongly Correlated Systems: Core Hole Effect},
author = {Lai, Chen-Yen and Zhu, Jian-Xin},
abstractNote = {Recently, ultrafast pump-probe spectroscopy has provided insightful information about the nonequilibrium dynamics of excitations in materials. In a typical experiment of time-resolved x-ray absorption spectroscopy, the systems are excited by a femtosecond laser pulse (pump pulse) followed by an x-ray probe pulse after a time delay to measure the absorption spectra of the photoexcited systems. We present a theory for nonequilibrium x-ray absorption spectroscopy in one-dimensional strongly correlated systems. The core hole created by the x ray is modeled as an additional effective potential of the core hole site, which changes the spectrum qualitatively. In equilibrium, the spectrum reveals the charge gap at half-filling and the metal-insulator transition in the presence of the core hole effect. Moreover, a pump-probe scheme is introduced to drive the system out of equilibrium before the x-ray probe. The effects of the pump pulse with varying frequencies, shapes, and fluences are discussed for the dynamics of strongly correlated systems in and out of resonance. The spectrum suggests that the driven insulating state has a metallic droplet around the core hole. The rich structures of the nonequilibrium x-ray absorption spectrum give more insight into the dynamics of electronic structures.},
doi = {10.1103/PhysRevLett.122.207401},
journal = {Physical Review Letters},
number = 20,
volume = 122,
place = {United States},
year = {Wed May 22 00:00:00 EDT 2019},
month = {Wed May 22 00:00:00 EDT 2019}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Theory of resonant inelastic x-ray scattering in iridium oxide compounds: Probing spin-orbit-entangled ground states and excitations
journal, July 2011
- Ament, Luuk J. P.; Khaliullin, Giniyat; van den Brink, Jeroen
- Physical Review B, Vol. 84, Issue 2
Density matrix renormalization group study of excitons in polydiacetylene chains
journal, January 2010
- Barcza, Gergely; Legeza, Örs; Gebhard, Florian
- Physical Review B, Vol. 81, Issue 4
Near- and Extended-Edge X-Ray-Absorption Fine-Structure Spectroscopy Using Ultrafast Coherent High-Order Harmonic Supercontinua
journal, March 2018
- Popmintchev, Dimitar; Galloway, Benjamin R.; Chen, Ming-Chang
- Physical Review Letters, Vol. 120, Issue 9
Using RIXS to Uncover Elementary Charge and Spin Excitations
journal, May 2016
- Jia, Chunjing; Wohlfeld, Krzysztof; Wang, Yao
- Physical Review X, Vol. 6, Issue 2
Light-Induced Superconductivity in a Stripe-Ordered Cuprate
journal, January 2011
- Fausti, D.; Tobey, R. I.; Dean, N.
- Science, Vol. 331, Issue 6014
High-brightness table-top hard X-ray source driven by sub-100-femtosecond mid-infrared pulses
journal, November 2014
- Weisshaupt, Jannick; Juvé, Vincent; Holtz, Marcel
- Nature Photonics, Vol. 8, Issue 12
Collective Nature of Spin Excitations in Superconducting Cuprates Probed by Resonant Inelastic X-Ray Scattering
journal, May 2015
- Minola, M.; Dellea, G.; Gretarsson, H.
- Physical Review Letters, Vol. 114, Issue 21
Magnetic Susceptibility of Ideal Spin 1 2 Heisenberg Antiferromagnetic Chain Systems, and
journal, April 1996
- Motoyama, N.; Eisaki, H.; Uchida, S.
- Physical Review Letters, Vol. 76, Issue 17
Computing Resonant Inelastic X-Ray Scattering Spectra Using The Density Matrix Renormalization Group Method
journal, July 2018
- Nocera, A.; Kumar, U.; Kaushal, N.
- Scientific Reports, Vol. 8, Issue 1
New trends in density matrix renormalization
journal, July 2006
- Hallberg, Karen A.
- Advances in Physics, Vol. 55, Issue 5-6
Observation of the spin-Peierls transition in linear (spin-1/2) chains in an inorganic compound
journal, June 1993
- Hase, Masashi; Terasaki, Ichiro; Uchinokura, Kunimitsu
- Physical Review Letters, Vol. 70, Issue 23
Using photoemission spectroscopy to probe a strongly interacting Fermi gas
journal, August 2008
- Stewart, J. T.; Gaebler, J. P.; Jin, D. S.
- Nature, Vol. 454, Issue 7205
Efficient DMFT impurity solver using real-time dynamics with matrix product states
journal, October 2015
- Ganahl, Martin; Aichhorn, Markus; Evertz, Hans Gerd
- Physical Review B, Vol. 92, Issue 15
Resonant inelastic x-ray scattering studies of elementary excitations
journal, June 2011
- Ament, Luuk J. P.; van Veenendaal, Michel; Devereaux, Thomas P.
- Reviews of Modern Physics, Vol. 83, Issue 2
Excited states in polydiacetylene chains: A density matrix renormalization group study
journal, June 2013
- Barcza, Gergely; Barford, William; Gebhard, Florian
- Physical Review B, Vol. 87, Issue 24
Oxidation state and chemical shift investigation in transition metal oxides by EELS
journal, May 2012
- Tan, Haiyan; Verbeeck, Jo; Abakumov, Artem
- Ultramicroscopy, Vol. 116
Core-hole effects in the x-ray-absorption spectra of transition-metal silicides
journal, June 1990
- Weijs, P. J. W.; Czyżyk, M. T.; van Acker, J. F.
- Physical Review B, Vol. 41, Issue 17
Muon-spin-rotation measurements in infinite-layer and infinite-chain cuprate antiferromagnets: and
journal, November 1993
- Keren, A.; Le, L. P.; Luke, G. M.
- Physical Review B, Vol. 48, Issue 17
Core-level binding energies in metals
journal, January 1980
- Fuggle, John C.; Mårtensson, Nils
- Journal of Electron Spectroscopy and Related Phenomena, Vol. 21, Issue 3
Density matrix formulation for quantum renormalization groups
journal, November 1992
- White, Steven R.
- Physical Review Letters, Vol. 69, Issue 19
Quantification of ferrous/ferric ratios in minerals: new evaluation schemes of Fe L 23 electron energy-loss near-edge spectra
journal, April 2002
- van Aken, P. A.; Liebscher, B.
- Physics and Chemistry of Minerals, Vol. 29, Issue 3
Angle-resolved photoemission spectroscopy with quantum gas microscopes
journal, March 2018
- Bohrdt, A.; Greif, D.; Demler, E.
- Physical Review B, Vol. 97, Issue 12
Challenges and constraints of dynamically emerged source and sink in atomtronic circuits: From closed-system to open-system approaches
journal, November 2016
- Lai, Chen-Yen; Chien, Chih-Chun
- Scientific Reports, Vol. 6, Issue 1
LDA+DMFT approach to core-level spectroscopy: Application to transition metal compounds
journal, July 2017
- Hariki, Atsushi; Uozumi, Takayuki; Kuneš, Jan
- Physical Review B, Vol. 96, Issue 4
Ultrafast charge and lattice dynamics in one-dimensional Mott insulator of CuO-chain compound investigated by femtosecond absorption spectroscopy
journal, February 2015
- Matsuzaki, H.; Nishioka, H.; Uemura, H.
- Physical Review B, Vol. 91, Issue 8
Ultrafast Doublon Dynamics in Photoexcited -
journal, April 2018
- Ligges, M.; Avigo, I.; Golež, D.
- Physical Review Letters, Vol. 120, Issue 16
Observation of Spin-Charge Separation in One-Dimensional SrCu
journal, November 1996
- Kim, C.; Matsuura, A. Y.; Shen, Z. -X.
- Physical Review Letters, Vol. 77, Issue 19
Angle-resolved photoemission studies of the cuprate superconductors
journal, April 2003
- Damascelli, Andrea; Hussain, Zahid; Shen, Zhi-Xun
- Reviews of Modern Physics, Vol. 75, Issue 2
The density-matrix renormalization group in the age of matrix product states
journal, January 2011
- Schollwöck, Ulrich
- Annals of Physics, Vol. 326, Issue 1
Mott transition by an impulsive dielectric breakdown
journal, August 2017
- Yamakawa, H.; Miyamoto, T.; Morimoto, T.
- Nature Materials, Vol. 16, Issue 11
Impurity-induced states in conventional and unconventional superconductors
journal, May 2006
- Balatsky, A. V.; Vekhter, I.; Zhu, Jian-Xin
- Reviews of Modern Physics, Vol. 78, Issue 2
Ultrafast energy- and momentum-resolved dynamics of magnetic correlations in the photo-doped Mott insulator Sr2IrO4
journal, May 2016
- Dean, M. P. M.; Cao, Y.; Liu, X.
- Nature Materials, Vol. 15, Issue 6
Raman and fluorescence characteristics of resonant inelastic X-ray scattering from doped superconducting cuprates
journal, January 2016
- Huang, H. Y.; Jia, C. J.; Chen, Z. Y.
- Scientific Reports, Vol. 6, Issue 1
Emergent ultrafast phenomena in correlated oxides and heterostructures
journal, January 2017
- Gandolfi, M.; Celardo, G. L.; Borgonovi, F.
- Physica Scripta, Vol. 92, Issue 3
Separation of spin and charge excitations in one-dimensional
journal, December 1997
- Kim, C.; Shen, Z. -X.; Motoyama, N.
- Physical Review B, Vol. 56, Issue 24
Dynamical correlation functions using the density matrix renormalization group
journal, July 1999
- Kühner, Till D.; White, Steven R.
- Physical Review B, Vol. 60, Issue 1
Direct Mapping of Phase Separation across the Metal–Insulator Transition of NdNiO 3
journal, March 2018
- Preziosi, Daniele; Lopez-Mir, Laura; Li, Xiaoyan
- Nano Letters, Vol. 18, Issue 4
Single-Band Model of Resonant Inelastic X-Ray Scattering by Quasiparticles in High- Cuprate Superconductors
journal, June 2014
- Benjamin, David; Klich, Israel; Demler, Eugene
- Physical Review Letters, Vol. 112, Issue 24
Resonant inelastic x-ray scattering as a probe of band structure effects in cuprates
journal, October 2016
- Kanász-Nagy, M.; Shi, Y.; Klich, I.
- Physical Review B, Vol. 94, Issue 16
Quantification of the memory effect of steady-state currents from interaction-induced transport in quantum systems
journal, September 2017
- Lai, Chen-Yen; Chien, Chih-Chun
- Physical Review A, Vol. 96, Issue 3
Time-step targeting methods for real-time dynamics using the density matrix renormalization group
journal, July 2005
- Feiguin, Adrian E.; White, Steven R.
- Physical Review B, Vol. 72, Issue 2
Photoinduced stabilization and enhancement of the ferroelectric polarization in Ba Sr TiO /La Ca(Sr) MnO thin film heterostructures
journal, July 2013
- Sheu, Y. M.; Trugman, S. A.; Yan, L.
- Physical Review B, Vol. 88, Issue 2
Quantum transport in ultracold atoms
journal, December 2015
- Chien, Chih-Chun; Peotta, Sebastiano; Di Ventra, Massimiliano
- Nature Physics, Vol. 11, Issue 12
Induced decoherence and entanglement by interacting quantum spin baths
journal, May 2008
- Lai, Cheng-Yan; Hung, Jo-Tzu; Mou, Chung-Yu
- Physical Review B, Vol. 77, Issue 20
From density-matrix renormalization group to matrix product states
journal, October 2007
- McCulloch, Ian P.
- Journal of Statistical Mechanics: Theory and Experiment, Vol. 2007, Issue 10
Fourier-transformed local density of states and tunneling into a -wave superconductor with bosonic modes
journal, January 2006
- Zhu, Jian-Xin; Balatsky, A. V.; Devereaux, T. P.
- Physical Review B, Vol. 73, Issue 1
Anisotropic softening of magnetic excitations along the nodal direction in superconducting cuprates
journal, December 2014
- Guarise, M.; Piazza, B. Dalla; Berger, H.
- Nature Communications, Vol. 5, Issue 1
ARPES experiment in fermiology of quasi-2D metals (Review Article)
journal, April 2014
- Kordyuk, A. A.
- Low Temperature Physics, Vol. 40, Issue 4
Probing the metal-insulator transition in nickelates using soft x-ray absorption spectroscopy
journal, January 2014
- Bruno, F. Y.; Valencia, S.; Abrudan, R.
- Applied Physics Letters, Vol. 104, Issue 2
Dynamical density-matrix renormalization-group method
journal, July 2002
- Jeckelmann, Eric
- Physical Review B, Vol. 66, Issue 4
The Be K-edge in beryllium oxide and chalcogenides: soft x-ray absorption spectra from first-principles theory and experiment
journal, July 2013
- Olovsson, W.; Weinhardt, L.; Fuchs, O.
- Journal of Physics: Condensed Matter, Vol. 25, Issue 31
Direct -Space Mapping of the Electronic Structure in an Oxide-Oxide Interface
journal, June 2013
- Berner, G.; Sing, M.; Fujiwara, H.
- Physical Review Letters, Vol. 110, Issue 24
Distinct spinon and holon dispersions in photoemission spectral functions from one-dimensional SrCuO2
journal, May 2006
- Kim, B. J.; Koh, H.; Rotenberg, E.
- Nature Physics, Vol. 2, Issue 6
Core-hole effect on XANES and electronic structure of minor actinide dioxides with fluorite structure
journal, February 2012
- Suzuki, Chikashi; Nishi, Tsuyoshi; Nakada, Masami
- Journal of Physics and Chemistry of Solids, Vol. 73, Issue 2
The one-dimensional Hubbard model: a reminiscence
journal, April 2003
- Lieb, Elliott H.; Wu, F. Y.
- Physica A: Statistical Mechanics and its Applications, Vol. 321, Issue 1-2
Direct role of structural dynamics in electron-lattice coupling of superconducting cuprates
journal, December 2008
- Carbone, F.; Yang, D. -S.; Giannini, E.
- Proceedings of the National Academy of Sciences, Vol. 105, Issue 51
Ultrafast optical spectroscopy of strongly correlated materials and high-temperature superconductors: a non-equilibrium approach
journal, March 2016
- Giannetti, Claudio; Capone, Massimo; Fausti, Daniele
- Advances in Physics, Vol. 65, Issue 2
Dynamics of Photoinduced Phase Transition from a Dimer Mott Insulator to a Metal
journal, September 2014
- Gomi, Hiroki; Kawatani, Takashi; Inagaki, Takeshi J.
- Journal of the Physical Society of Japan, Vol. 83, Issue 9
Metal-Insulator Transition of strained SmNiO3 Thin Films: Structural, Electrical and Optical Properties
journal, January 2017
- Torriss, B.; Margot, J.; Chaker, M.
- Scientific Reports, Vol. 7, Issue 1
Spectral Function of the One-Dimensional Hubbard Model away from Half Filling
journal, June 2004
- Benthien, H.; Gebhard, F.; Jeckelmann, E.
- Physical Review Letters, Vol. 92, Issue 25
Doping of a one-dimensional Mott insulator: Photoemission and optical studies of
journal, February 2008
- Kidd, T. E.; Valla, T.; Johnson, P. D.
- Physical Review B, Vol. 77, Issue 5
Quantum simulation of ultrafast dynamics using trapped ultracold atoms
journal, May 2018
- Senaratne, Ruwan; Rajagopal, Shankari V.; Shimasaki, Toshihiko
- Nature Communications, Vol. 9, Issue 1
Absence of Mott Transition in an Exact Solution of the Short-Range, One-Band Model in One Dimension
journal, June 1968
- Lieb, Elliott H.; Wu, F. Y.
- Physical Review Letters, Vol. 20, Issue 25
Ultrafast Time-Resolved Hard X-Ray Emission Spectroscopy on a Tabletop
journal, September 2016
- Miaja-Avila, Luis; O’Neil, Galen C.; Joe, Young I.
- Physical Review X, Vol. 6, Issue 3
Time-domain classification of charge-density-wave insulators
journal, January 2012
- Hellmann, S.; Rohwer, T.; Kalläne, M.
- Nature Communications, Vol. 3, Issue 1
Matrix Product State Representation for Slater Determinants and Configuration Interaction States
journal, November 2012
- Silvi, Pietro; Rossini, Davide; Fazio, Rosario
- International Journal of Modern Physics B, Vol. 27, Issue 01n03
Geometry-Induced Memory Effects in Isolated Quantum Systems: Cold-Atom Applications
journal, March 2016
- Lai, Chen-Yen; Chien, Chih-Chun
- Physical Review Applied, Vol. 5, Issue 3
Uni10: an open-source library for tensor network algorithms
journal, September 2015
- Kao, Ying-Jer; Hsieh, Yun-Da; Chen, Pochung
- Journal of Physics: Conference Series, Vol. 640