Dresden 2020 – scientific programme

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PRV: Preisträgervorträge

PRV IV

PRV IV: Prize Talk

Wednesday, March 18, 2020, 13:15–13:45, HSZ 01

Fingerprints of correlation in electronic spectra of materials — •Lucia Reining — Laboratoire des Solides Irradiés, École Polytechnique, CNRS, CEA/DRF/IRAMIS, Institut Polytechnique de Paris, F-91128 Palaiseau, France — European Theoretical Spectroscopy Facility (ETSF) — Laureate of the Gentner Kastler Prize 2020

Many properties of materials are determined by electronic excitations which can be observed in spectroscopic experiments, such as absorption or photoemission. However, electronic spectra of a real many-body system are often very different from what an independent-particle picture would suggest. How can theory understand, and how can calculations predict, the wealth of unexpected phenomena that may take place ? Density functional theory and many-body perturbation theory based on Green's functions are powerful approaches to face this problem, and indeed, ab initio calculations often yield reliable band structures. However, electronic excitation spectra contain much more: they may exhibit lifetime broadening, an incoherent background or distinct satellite structures. These features are pure correlation effects that cannot be captured by any independent-particle picture, and they are at the forefront of the capabilities of current first principles approaches. In this talk we will discuss recent progress in the theoretical description and analysis of satellites in photoemission and inelastic x-ray scattering spectra, using density functionals [1], Green's functions [2], and close collaboration with experiment. [1] M. Panholzer, M. Gatti, and L. Reining, Phys. Rev. Lett. 120, 166402 (2018). [2] J.S. Zhou, et al., J. Chem. Phys. 143, 184109 (2015); Phys. Rev. B 97, 035137 (2018).