SKM 2023 – wissenschaftliches Programm
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TT: Fachverband Tiefe Temperaturen
TT 21: Correlated Electrons: Electronic Structure Calculations
TT 21.1: Vortrag
Dienstag, 28. März 2023, 09:30–09:45, HSZ 201
Revealing electronic correlations in YNi2B2C using photoemission spectroscopy — •Aki Pulkkinen1, Geoffroy Kremer2, Vladimir Strocov3, Frank Weber4, Ján Minár1, and Claude Monney5 — 1New Technologies-Research Center, University of West Bohemia, Pilsen, Czech Republic — 2Département Physique de la Matière et des Matériaux, Institut Jean Lamour, Université de Lorraine/CNRS, France — 3Paul Scherrer Institut, Swiss Light Source, Villigen, Switzerland — 4Institute for Quantum Materials and Technologies, Karlsruhe Institute of Technology, Karlsruhe, Germany — 5Département de Physique and Fribourg Center for Nanomaterials, Université de Fribourg, Fribourg, Switzerland
YNi2B2C is an intermetallic borocarbide superconductor with a complex electronic band structure that has a very strong Ni character near the Fermi energy. We present density functional theory (DFT) and one-step model of photoemission results for YNi2B2C and compare them to experimental soft x-ray angle resolved photoemission spectroscopy (SX-ARPES) measurements. We show that moderate electron correlations have to be included, using dynamical mean field theory (DFT+DMFT) applied to the Ni d-states, to reach the best agreement between the experimental and theoretical SX-ARPES spectra. The one-step model calculations allow us to identify the effect of DFT+DMFT on the energy bands observed in the SX-ARPES measurements.