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X-ray absorption near edge spectroscopy (XANES) in warm dense matter (Id 191)

No current offer!

Foto: DFT-MD and XANES ©Copyright: Jan VorbergerThe absorption of x-rays in matter is characteristic for the electronic structure of the sample, but contains information about the ionic structure as well, in particular near the K or L absorption edges. This is very interesting and useful for the investigation of new states of matter under high pressure or at the solid-fluid phase boundary. We have experiments planned to utilize XANES on copper and other metals in which the absorption in the sample is measured during laser irradiation. For this scenario, theoretical predictions from first principles for the x-ray absorption are needed.

Tasks:

  • learning to operate a modern density functional theory code (DFT)
  • performing DFT calculations of the electronic and ionic structure, and of XANES spectra
  • analysis of the results, close collaboration with the experiment, comparison with experimental results

Department: High Energy Density

Contact: Vorberger, Jan

Requirements

  • interest in theoretical physics, in particular computer simulations of fluids and solids
  • student of physics, mathematics, chemistry, or computer science
  • computer background (linux, programming languages

Conditions

  • begin: anytime
  • expense allowance
  • good mentoring

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