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Title: Optically induced lattice deformations, electronic structure changes, and enhanced superconductivity in YBa 2Cu 3O 6.48

Abstract

Resonant optical excitation of apical oxygen vibrational modes in the normal state of underdoped YBa 2Cu 3O 6+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 CuO 2 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:
 [1];  [1];  [1];  [1];  [2];  [2];  [3];  [3];  [3];  [3];  [2];  [4];  [5]
  1. Max Planck Institute for the Structure and Dynamics of Matter, Hamburg (Germany)
  2. Max Planck Institute for Solid State Research, Stuttgart (Germany)
  3. SLAC National Accelerator Lab., Menlo Park, CA (United States)
  4. Diamond Light Source, Didcot (United Kingdom)
  5. 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 Lab., Menlo Park, CA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1369309
Grant/Contract Number:  
AC02-76SF00515
Resource Type:
Journal Article: 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. 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., and Cavalleri, A. Tue . "Optically induced lattice deformations, electronic structure changes, and enhanced superconductivity in YBa2Cu3O6.48". United States. doi: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}
}

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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
  • DOI: 10.1103/PhysRevLett.77.3865