Extraction of the self energy and Eliashberg function from angle resolved photoemission spectroscopy using the xARPES code
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| Main Authors: | , , , , , |
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| Format: | Preprint |
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2025
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| _version_ | 1866910178325037056 |
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| author | van Waas, Thomas P. Berthod, Christophe Berges, Jan Marzari, Nicola Dil, J. Hugo Poncé, Samuel |
| author_facet | van Waas, Thomas P. Berthod, Christophe Berges, Jan Marzari, Nicola Dil, J. Hugo Poncé, Samuel |
| contents | Angle-resolved photoemission spectroscopy is a powerful experimental technique for studying anisotropic many-body interactions through the electron spectral function. Existing attempts to decompose the spectral function into non-interacting dispersions and electron-phonon, electron-electron, and electron-impurity self-energies rely on linearization of the bands and manual assignment of self-energy magnitudes. Here, we show how self-energies can be extracted consistently for curved dispersions. We extend the maximum-entropy method to Eliashberg-function extraction with Bayesian inference, optimizing the parameters describing the dispersions and the magnitudes of electron-electron and electron-impurity interactions. We compare these novel methodologies with state-of-the-art approaches on model data, then demonstrate their applicability with two high-quality experimental data sets. With the first set, we identify the phonon modes of a two-dimensional electron liquid on TiO$_2$-terminated SrTiO$_3$. With the second set, we obtain unprecedented agreement between two Eliashberg functions of Li-doped graphene extracted from separate dispersions. We release these functionalities in the novel Python code xARPES. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2508_13845 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Extraction of the self energy and Eliashberg function from angle resolved photoemission spectroscopy using the xARPES code van Waas, Thomas P. Berthod, Christophe Berges, Jan Marzari, Nicola Dil, J. Hugo Poncé, Samuel Materials Science Superconductivity Computational Physics Angle-resolved photoemission spectroscopy is a powerful experimental technique for studying anisotropic many-body interactions through the electron spectral function. Existing attempts to decompose the spectral function into non-interacting dispersions and electron-phonon, electron-electron, and electron-impurity self-energies rely on linearization of the bands and manual assignment of self-energy magnitudes. Here, we show how self-energies can be extracted consistently for curved dispersions. We extend the maximum-entropy method to Eliashberg-function extraction with Bayesian inference, optimizing the parameters describing the dispersions and the magnitudes of electron-electron and electron-impurity interactions. We compare these novel methodologies with state-of-the-art approaches on model data, then demonstrate their applicability with two high-quality experimental data sets. With the first set, we identify the phonon modes of a two-dimensional electron liquid on TiO$_2$-terminated SrTiO$_3$. With the second set, we obtain unprecedented agreement between two Eliashberg functions of Li-doped graphene extracted from separate dispersions. We release these functionalities in the novel Python code xARPES. |
| title | Extraction of the self energy and Eliashberg function from angle resolved photoemission spectroscopy using the xARPES code |
| topic | Materials Science Superconductivity Computational Physics |
| url | https://arxiv.org/abs/2508.13845 |