Probing the band structure of the strongly correlated antiferromagnet NiPS3 across its phase transition
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| Main Authors: | , , , , , , , , , , , , , , , , , , , , , |
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| Format: | Preprint |
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2025
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| _version_ | 1866909980671606784 |
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| author | Pestka, Benjamin Bhattacharyya, Biplab Rybak, Milosz Strasdas, Jeff Budniak, Adam K. Harchol, Adi Liebmann, Marcus Leuth, Niklas Boban, Honey Feyer, Vitaliy Cojocariu, Iulia Baranowski, Daniel Mearini, Simone Waldecker, Lutz Beschoten, Bernd Stampfer, Christoph Amouyal, Yaron Plucinski, Lukasz Lifshitz, Efrat Wohlfeld, Krzysztof Birowska, Magdalena Morgenstern, Markus |
| author_facet | Pestka, Benjamin Bhattacharyya, Biplab Rybak, Milosz Strasdas, Jeff Budniak, Adam K. Harchol, Adi Liebmann, Marcus Leuth, Niklas Boban, Honey Feyer, Vitaliy Cojocariu, Iulia Baranowski, Daniel Mearini, Simone Waldecker, Lutz Beschoten, Bernd Stampfer, Christoph Amouyal, Yaron Plucinski, Lukasz Lifshitz, Efrat Wohlfeld, Krzysztof Birowska, Magdalena Morgenstern, Markus |
| contents | NiPS3 is an exfoliable van-der-Waals intralayer antiferromagnet with zigzag-type spin arrangement. It is distinct from other TMPS3 (TM: transition metal) materials by optical excitations into a strongly correlated state that is tied to the magnetic properties. However, the related, fundamental band structure across the antiferromagnetic phase transition has not been probed yet. Here, we use angular-resolved photoelectron spectroscopy with μm resolution in combination with DFT+U calculations for that purpose. We identify a characteristic band shift across TN. It is attributed to bands of mixed Ni and S character related to the superexchange interaction of Ni 3t2g orbitals. Moreover, we find a structure above the valence band maximum with little angular dispersion that could not be reproduced by the calculations. The discrepancy suggests the influence of many-body interactions beyond the DFT+U approximations in striking contrast to the results on MnPS3 and FePS3, where these calculations were sufficient for an adequate description. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2507_14890 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Probing the band structure of the strongly correlated antiferromagnet NiPS3 across its phase transition Pestka, Benjamin Bhattacharyya, Biplab Rybak, Milosz Strasdas, Jeff Budniak, Adam K. Harchol, Adi Liebmann, Marcus Leuth, Niklas Boban, Honey Feyer, Vitaliy Cojocariu, Iulia Baranowski, Daniel Mearini, Simone Waldecker, Lutz Beschoten, Bernd Stampfer, Christoph Amouyal, Yaron Plucinski, Lukasz Lifshitz, Efrat Wohlfeld, Krzysztof Birowska, Magdalena Morgenstern, Markus Strongly Correlated Electrons Materials Science NiPS3 is an exfoliable van-der-Waals intralayer antiferromagnet with zigzag-type spin arrangement. It is distinct from other TMPS3 (TM: transition metal) materials by optical excitations into a strongly correlated state that is tied to the magnetic properties. However, the related, fundamental band structure across the antiferromagnetic phase transition has not been probed yet. Here, we use angular-resolved photoelectron spectroscopy with μm resolution in combination with DFT+U calculations for that purpose. We identify a characteristic band shift across TN. It is attributed to bands of mixed Ni and S character related to the superexchange interaction of Ni 3t2g orbitals. Moreover, we find a structure above the valence band maximum with little angular dispersion that could not be reproduced by the calculations. The discrepancy suggests the influence of many-body interactions beyond the DFT+U approximations in striking contrast to the results on MnPS3 and FePS3, where these calculations were sufficient for an adequate description. |
| title | Probing the band structure of the strongly correlated antiferromagnet NiPS3 across its phase transition |
| topic | Strongly Correlated Electrons Materials Science |
| url | https://arxiv.org/abs/2507.14890 |