Optically induced lattice deformations, electronic structure changes, and enhanced superconductivity in YBa2Cu3O6.48
Abstract
Resonant optical excitation of apical oxygen vibrational modes in the normal state of underdoped YBa2Cu3O6+x induces a transient state with optical properties similar to those of the equilibrium superconducting state. Amongst these, a divergent imaginary conductivity and a plasma edge are transiently observed in the photo-stimulated state. Femtosecond hard x-ray diffraction experiments have been used in the past to identify the transient crystal structure in this non-equilibrium state. Here, we start from these crystallographic features and theoretically predict the corresponding electronic rearrangements that accompany these structural deformations. Using density functional theory, we predict enhanced hole-doping of the CuO2 planes. The empty chain Cu dy2-z2 orbital is calculated to strongly reduce in energy, which would increase c-axis transport and potentially enhance the interlayer Josephson coupling as observed in the THz-frequency response. From these results, we calculate changes in the soft x-ray absorption spectra at the Cu L-edge. As a result, femtosecond x-ray pulses from a free electron laser are used to probe changes in absorption at two photon energies along this spectrum and provide data consistent with these predictions.
- Authors:
-
- Max Planck Institute for the Structure and Dynamics of Matter, Hamburg (Germany)
- Max Planck Institute for Solid State Research, Stuttgart (Germany)
- SLAC National Accelerator Lab., Menlo Park, CA (United States)
- Diamond Light Source, Didcot (United Kingdom)
- Max Planck Institute for the Structure and Dynamics of Matter, Hamburg (Germany); Univ. of Oxford, Oxford (United Kingdom)
- Publication Date:
- Research Org.:
- SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1369309
- Grant/Contract Number:
- AC02-76SF00515
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Structural Dynamics
- Additional Journal Information:
- Journal Volume: 4; Journal Issue: 4; Journal ID: ISSN 2329-7778
- Publisher:
- American Crystallographic Association/AIP
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Citation Formats
Mankowsky, R., Fechner, M., Forst, M., von Hoegen, A., Porras, J., Loew, T., Dakovski, G. L., Seaberg, M., Moller, S., Coslovich, G., Keimer, B., Dhesi, S. S., and Cavalleri, A. Optically induced lattice deformations, electronic structure changes, and enhanced superconductivity in YBa2Cu3O6.48. United States: N. p., 2017.
Web. doi:10.1063/1.4977672.
Mankowsky, R., Fechner, M., Forst, M., von Hoegen, A., Porras, J., Loew, T., Dakovski, G. L., Seaberg, M., Moller, S., Coslovich, G., Keimer, B., Dhesi, S. S., & Cavalleri, A. Optically induced lattice deformations, electronic structure changes, and enhanced superconductivity in YBa2Cu3O6.48. United States. https://doi.org/10.1063/1.4977672
Mankowsky, R., Fechner, M., Forst, M., von Hoegen, A., Porras, J., Loew, T., Dakovski, G. L., Seaberg, M., Moller, S., Coslovich, G., Keimer, B., Dhesi, S. S., and Cavalleri, A. Tue .
"Optically induced lattice deformations, electronic structure changes, and enhanced superconductivity in YBa2Cu3O6.48". United States. https://doi.org/10.1063/1.4977672. https://www.osti.gov/servlets/purl/1369309.
@article{osti_1369309,
title = {Optically induced lattice deformations, electronic structure changes, and enhanced superconductivity in YBa2Cu3O6.48},
author = {Mankowsky, R. and Fechner, M. and Forst, M. and von Hoegen, A. and Porras, J. and Loew, T. and Dakovski, G. L. and Seaberg, M. and Moller, S. and Coslovich, G. and Keimer, B. and Dhesi, S. S. and Cavalleri, A.},
abstractNote = {Resonant optical excitation of apical oxygen vibrational modes in the normal state of underdoped YBa2Cu3O6+x induces a transient state with optical properties similar to those of the equilibrium superconducting state. Amongst these, a divergent imaginary conductivity and a plasma edge are transiently observed in the photo-stimulated state. Femtosecond hard x-ray diffraction experiments have been used in the past to identify the transient crystal structure in this non-equilibrium state. Here, we start from these crystallographic features and theoretically predict the corresponding electronic rearrangements that accompany these structural deformations. Using density functional theory, we predict enhanced hole-doping of the CuO2 planes. The empty chain Cu dy2-z2 orbital is calculated to strongly reduce in energy, which would increase c-axis transport and potentially enhance the interlayer Josephson coupling as observed in the THz-frequency response. From these results, we calculate changes in the soft x-ray absorption spectra at the Cu L-edge. As a result, femtosecond x-ray pulses from a free electron laser are used to probe changes in absorption at two photon energies along this spectrum and provide data consistent with these predictions.},
doi = {10.1063/1.4977672},
journal = {Structural Dynamics},
number = 4,
volume = 4,
place = {United States},
year = {Tue Feb 28 00:00:00 EST 2017},
month = {Tue Feb 28 00:00:00 EST 2017}
}
Web of Science
Works referenced in this record:
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Pressure dependence of the superconducting transition temperature in the 94-K superconductor
journal, June 1987
- Schirber, J. E.; Ginley, D. S.; Venturini, E. L.
- Physical Review B, Vol. 35, Issue 16
Site-Specific X-Ray Absorption Spectroscopy of : Overdoping and Role of Apical Oxygen for High Temperature Superconductivity
journal, June 1998
- Merz, M.; Nücker, N.; Schweiss, P.
- Physical Review Letters, Vol. 80, Issue 23
Superconducting-insulator transition driven by out-of-plane carrier localization in ultrathin films
journal, February 2007
- Salluzzo, M.; Ghiringhelli, G.; Brookes, N. B.
- Physical Review B, Vol. 75, Issue 5
Doping-induced charge redistribution in the high-temperature superconductor
journal, March 2003
- Ambrosch-Draxl, C.; Süle, P.; Auer, H.
- Physical Review B, Vol. 67, Issue 10
Resonant x-ray scattering study of charge-density wave correlations in
journal, August 2014
- Blanco-Canosa, S.; Frano, A.; Schierle, E.
- Physical Review B, Vol. 90, Issue 5
Light-Induced Superconductivity in a Stripe-Ordered Cuprate
journal, January 2011
- Fausti, D.; Tobey, R. I.; Dean, N.
- Science, Vol. 331, Issue 6014
Symmetry Assumptions, Kramers?Kronig Transformation and Analytical Continuation in Ab Initio Calculations of Optical Conductivities
journal, January 2004
- Rathgen, Helmut; Katsnelson, Mikhail I.
- Physica Scripta, Vol. T109
Optically induced coherent transport far above in underdoped
journal, May 2014
- Kaiser, S.; Hunt, C. R.; Nicoletti, D.
- Physical Review B, Vol. 89, Issue 18
Pressure-induced charge transfer and dTc/dP in YBa2Cu3O7−x
journal, October 1990
- Jorgensen, J. D.; Pei, Shiyou; Lightfoot, P.
- Physica C: Superconductivity, Vol. 171, Issue 1-2
Two distinct kinetic regimes for the relaxation of light-induced superconductivity in
journal, January 2015
- Hunt, C. R.; Nicoletti, D.; Kaiser, S.
- Physical Review B, Vol. 91, Issue 2
Optically enhanced coherent transport in YBa2Cu3O6.5 by ultrafast redistribution of interlayer coupling
journal, May 2014
- Hu, W.; Kaiser, S.; Nicoletti, D.
- Nature Materials, Vol. 13, Issue 7
Pressure dependence of superconducting transition temperature and of hall constant in high-Tc Cu-oxide superconductors
journal, December 1991
- Mori, N.; Murayama, C.; Takahashi, H.
- Physica C: Superconductivity, Vol. 185-189
Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators
journal, August 1995
- Liechtenstein, A. I.; Anisimov, V. I.; Zaanen, J.
- Physical Review B, Vol. 52, Issue 8
First-principles study on the creation of holes in highTc cuprates
journal, May 2004
- Ambrosch-Draxl, C.; Sherman, E. Ya.; Auer, H.
- physica status solidi (b), Vol. 241, Issue 6
Evaluation of plane hole doping in single crystals
journal, May 2006
- Liang, Ruixing; Bonn, D. A.; Hardy, W. N.
- Physical Review B, Vol. 73, Issue 18
Pressure dependence of the superconducting transition temperature of as a function of carrier concentration: A test for a simple charge-transfer model
journal, April 1993
- Neumeier, J. J.; Zimmermann, H. A.
- Physical Review B, Vol. 47, Issue 13
Nonlinear lattice dynamics as a basis for enhanced superconductivity in YBa2Cu3O6.5
journal, December 2014
- Mankowsky, R.; Subedi, A.; Först, M.
- Nature, Vol. 516, Issue 7529
Possible light-induced superconductivity in K3C60 at high temperature
journal, February 2016
- Mitrano, M.; Cantaluppi, A.; Nicoletti, D.
- Nature, Vol. 530, Issue 7591
Superconductivity under high pressure of ( ( M =Fe, Co, Al, Cr, Ni, and Zn)
journal, May 1990
- Huber, J. G.; Liverman, W. J.; Xu, Youwen
- Physical Review B, Vol. 41, Issue 13
Nonlinear phononics as an ultrafast route to lattice control
journal, August 2011
- Först, M.; Manzoni, C.; Kaiser, S.
- Nature Physics, Vol. 7, Issue 11
Displacive lattice excitation through nonlinear phononics viewed by femtosecond X-ray diffraction
journal, September 2013
- Först, M.; Mankowsky, R.; Bromberger, H.
- Solid State Communications, Vol. 169
Resonant elastic soft x-ray scattering in oxygen-ordered YBa Cu O
journal, August 2011
- Hawthorn, D. G.; Shen, K. M.; Geck, J.
- Physical Review B, Vol. 84, Issue 7
Structural and electronic properties of and under mechanical and strontium chemical pressures
journal, October 2004
- Khosroabadi, H.; Mossalla, B.; Akhavan, M.
- Physical Review B, Vol. 70, Issue 13
Pressure dependence of Tc and anisotropic features in the family Y2Ba4Cu6 + nO14 + n (n = 0,1,2)
journal, October 1990
- Bucher, B.; Karpinski, J.; Kaldis, E.
- Journal of the Less Common Metals, Vol. 164-165
First-principles study on the creation of holes in highTc cuprates
journal, May 2004
- Ambrosch-Draxl, C.; Sherman, E. Ya.; Auer, H.
- physica status solidi (b), Vol. 241, Issue 6
Displacive lattice excitation through nonlinear phononics viewed by femtosecond X-ray diffraction
journal, September 2013
- Först, M.; Mankowsky, R.; Bromberger, H.
- Solid State Communications, Vol. 169
Possible light-induced superconductivity in K3C60 at high temperature
journal, February 2016
- Mitrano, M.; Cantaluppi, A.; Nicoletti, D.
- Nature, Vol. 530, Issue 7591
Optically enhanced coherent transport in YBa2Cu3O6.5 by ultrafast redistribution of interlayer coupling
journal, May 2014
- Hu, W.; Kaiser, S.; Nicoletti, D.
- Nature Materials, Vol. 13, Issue 7
Light-Induced Superconductivity in a Stripe-Ordered Cuprate
journal, January 2011
- Fausti, D.; Tobey, R. I.; Dean, N.
- Science, Vol. 331, Issue 6014
Nonlinear phononics: A new ultrafast route to lattice control
text, January 2011
- Först, Michael; Manzoni, Cristian; Kaiser, Stefan
- arXiv
Nonlinear lattice dynamics as a basis for enhanced superconductivity in YBa2Cu3O6.5
text, January 2014
- Mankowsky, R.; Subedi, A.; Först, M.
- arXiv
Works referencing / citing this record:
Probing dynamics in quantum materials with femtosecond X-rays
journal, June 2018
- Buzzi, Michele; Först, Michael; Mankowsky, Roman
- Nature Reviews Materials, Vol. 3, Issue 9
Probing the non-equilibrium transient state in magnetite by a jitter-free two-color X-ray pump and X-ray probe experiment
journal, September 2018
- Pontius, N.; Beye, M.; Trabant, C.
- Structural Dynamics, Vol. 5, Issue 5
Parametric amplification of optical phonons
journal, November 2018
- Cartella, A.; Nova, T. F.; Fechner, M.
- Proceedings of the National Academy of Sciences, Vol. 115, Issue 48
Measuring non-equilibrium dynamics in complex solids with ultrashort X-ray pulses
journal, April 2019
- Buzzi, Michele; Först, Michael; Cavalleri, Andrea
- Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 377, Issue 2145
Transiently enhanced interlayer tunneling in optically driven high- superconductors
journal, October 2017
- Okamoto, Jun-ichi; Hu, Wanzheng; Cavalleri, Andrea
- Physical Review B, Vol. 96, Issue 14
Ultrafast transient increase of oxygen octahedral rotations in a perovskite
journal, August 2019
- Porer, M.; Fechner, M.; Kubli, M.
- Physical Review Research, Vol. 1, Issue 1
Probing the non-equilibrium transient state in magnetite by a jitter-free two-color X-ray pump and X-ray probe experiment
text, January 2018
- Pontius, N.; Beye, M.; Trabant, C.
- Deutsches Elektronen-Synchrotron, DESY, Hamburg
Ultrafast transient increase of oxygen octahedral rotations in a perovskite
text, January 2019
- Porer, Michael; Fechner, M.; Kubli, M.
- Universität Regensburg
Transiently enhanced interlayer tunneling in optically driven high $T_c$ superconductors
text, January 2017
- Okamoto, Jun-ichi; Hu, Wanzheng; Cavalleri, Andrea
- arXiv
Parametric amplification of optical phonons
preprint, January 2017
- Cartella, Andrea; Nova, Tobia Federico; Fechner, Michael
- arXiv
Ultrafast transient increase of oxygen octahedral rotations in a perovskite
text, January 2019
- Porer, M.; Fechner, M.; Kubli, M.
- arXiv
Ultrafast phononic switching of magnetization
journal, January 2021
- Stupakiewicz, A.; Davies, C. S.; Szerenos, K.
- Nature Physics, Vol. 17, Issue 4
Evidence for a vestigial nematic state in the cuprate pseudogap phase
journal, June 2019
- Mukhopadhyay, Sourin; Sharma, Rahul; Kim, Chung Koo
- Proceedings of the National Academy of Sciences, Vol. 116, Issue 27
Phonon-driven ultrafast symmetry lowering in a crystal
journal, December 2020
- Melnikov, A. A.; Selivanov, Yu. G.; Chekalin, S. V.
- Physical Review B, Vol. 102, Issue 22
Optical parametric amplification of phase-stable terahertz-to-mid-infrared pulses studied in the time domain
journal, January 2021
- Kanda, Natsuki; Ishii, Nobuhisa; Itatani, Jiro
- Optics Express, Vol. 29, Issue 3
A critical analysis of models and experimental evidence of negative capacitance stabilization in a ferroelectric by capacitance matching to an adjacent dielectric layer
preprint, January 2020
- Kittl, J. A.; Locquet, J. -P.; Houssa, M.
- arXiv