Understanding XANES spectra of two-temperature warm dense copper using ab initio simulations

N. Jourdain, V. Recoules, L. Lecherbourg, P. Renaudin, and F. Dorchies
Phys. Rev. B 101, 125127 – Published 26 March 2020

Abstract

Using ab initio molecular-dynamics simulations combined with linear-response theory, we studied the x-ray absorption near-edge spectra (XANES) of a two-temperature dense copper plasma. As the temperature increases, XANES spectra exhibit a pre-edge structure balanced by a reduction of the absorption just behind the edge. By performing systematic simulations for various thermodynamic conditions, we establish a formulation to deduce the electronic temperature Te directly from the spectral integral of the pre-edge that can be used for various thermodynamic conditions encountered in a femtosecond heating experiment where thermal nonequilibrium and expanded states have to be considered.

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  • Received 18 March 2019
  • Revised 13 February 2020
  • Accepted 27 February 2020

DOI:https://doi.org/10.1103/PhysRevB.101.125127

©2020 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied PhysicsPlasma Physics

Authors & Affiliations

N. Jourdain1,2, V. Recoules1,*, L. Lecherbourg1,3, P. Renaudin1, and F. Dorchies2

  • 1CEA-DAM-DIF, F-91297 Arpajon, France
  • 2Université Bordeaux, CNRS, CEA, CELIA, UMR 5107, F-33400 Talence, France
  • 3LOA, ENSTA ParisTech, CNRS, EcolePolytechnique, Université Paris-Saclay, F-91120 Palaiseau, France

  • *vanina.recoules@cea.fr

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Vol. 101, Iss. 12 — 15 March 2020

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