Revealing electronic correlations in YNi$_2$B$_2$C using photoemission spectroscopy
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| Main Authors: | , , , , , |
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| Format: | Preprint |
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2025
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| _version_ | 1866913737924935680 |
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| author | Pulkkinen, Aki Kremer, Geoffroy Strocov, Vladimir N. Weber, Frank Minár, Ján Monney, Claude |
| author_facet | Pulkkinen, Aki Kremer, Geoffroy Strocov, Vladimir N. Weber, Frank Minár, Ján Monney, Claude |
| contents | We present a combined density functional theory (DFT), one-step model of photoemission, and soft x-ray angle-resolved photoemission spectroscopy (SX-ARPES) study of the electronic structure of the quaternary borocarbide superconductor YNi$_2$B$_2$C. Our analysis reveals the presence of moderate electronic correlations beyond the semilocal DFT within the generalized gradient approximation. We show that DFT and the full potential Korringa-Kohn-Rostoker method combined with the dynamical mean field theory (DFT+DMFT) with average Coulomb interaction U = 3.0 eV and the exchange energy J = 0.9 eV applied to the Ni d-states are necessary for reproducing the experimentally observed SX-ARPES spectra. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2503_11886 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Revealing electronic correlations in YNi$_2$B$_2$C using photoemission spectroscopy Pulkkinen, Aki Kremer, Geoffroy Strocov, Vladimir N. Weber, Frank Minár, Ján Monney, Claude Strongly Correlated Electrons Superconductivity We present a combined density functional theory (DFT), one-step model of photoemission, and soft x-ray angle-resolved photoemission spectroscopy (SX-ARPES) study of the electronic structure of the quaternary borocarbide superconductor YNi$_2$B$_2$C. Our analysis reveals the presence of moderate electronic correlations beyond the semilocal DFT within the generalized gradient approximation. We show that DFT and the full potential Korringa-Kohn-Rostoker method combined with the dynamical mean field theory (DFT+DMFT) with average Coulomb interaction U = 3.0 eV and the exchange energy J = 0.9 eV applied to the Ni d-states are necessary for reproducing the experimentally observed SX-ARPES spectra. |
| title | Revealing electronic correlations in YNi$_2$B$_2$C using photoemission spectroscopy |
| topic | Strongly Correlated Electrons Superconductivity |
| url | https://arxiv.org/abs/2503.11886 |