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| Main Authors: | , , , , , , , , , , |
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| Format: | Preprint |
| Published: |
2025
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2511.17403 |
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| _version_ | 1866909916366635008 |
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| author | Sternemann, Lasse Janas, David Maximilian Banerjee, Eshan Leven, Richard Nitschke, Jonah Elias Marino, Marco Becker, Leon Ademoğlu, Ahmet Can Anders, Frithjof Tappertzhofen, Stefan Cinchetti, Mirko |
| author_facet | Sternemann, Lasse Janas, David Maximilian Banerjee, Eshan Leven, Richard Nitschke, Jonah Elias Marino, Marco Becker, Leon Ademoğlu, Ahmet Can Anders, Frithjof Tappertzhofen, Stefan Cinchetti, Mirko |
| contents | Chromium thiophosphate (CrPS$_4$) is a layered two-dimensional antiferromagnetic semiconductor exhibiting intriguing spintronic and magneto-optical properties, yet its electronic band structure has remained experimentally uncharacterized. Here, we employ momentum-resolved photoemission spectroscopy above and below the Néel temperature, complemented by density functional theory with Hubbard U corrections (DFT+U), to reveal a valence band dominated by Cr $3d$ and S $3p$ states with a ligand-to-metal charge-transfer band gap. We identify weakly hybridized t$_{2g}$ orbitals responsible for magnetic ordering and strongly hybridized e$_{g}$ orbitals that relax dipole selection rules, enabling optically active orbital transitions. These findings establish a foundational understanding of CrPS$_4$'s electronic structure, providing a benchmark for theoretical models and informing future investigations into its orbital physics and potential device applications. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2511_17403 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Momentum-Resolved Electronic Structure and Orbital Hybridization in the Layered Antiferromagnet CrPS$_4$ Sternemann, Lasse Janas, David Maximilian Banerjee, Eshan Leven, Richard Nitschke, Jonah Elias Marino, Marco Becker, Leon Ademoğlu, Ahmet Can Anders, Frithjof Tappertzhofen, Stefan Cinchetti, Mirko Materials Science Chromium thiophosphate (CrPS$_4$) is a layered two-dimensional antiferromagnetic semiconductor exhibiting intriguing spintronic and magneto-optical properties, yet its electronic band structure has remained experimentally uncharacterized. Here, we employ momentum-resolved photoemission spectroscopy above and below the Néel temperature, complemented by density functional theory with Hubbard U corrections (DFT+U), to reveal a valence band dominated by Cr $3d$ and S $3p$ states with a ligand-to-metal charge-transfer band gap. We identify weakly hybridized t$_{2g}$ orbitals responsible for magnetic ordering and strongly hybridized e$_{g}$ orbitals that relax dipole selection rules, enabling optically active orbital transitions. These findings establish a foundational understanding of CrPS$_4$'s electronic structure, providing a benchmark for theoretical models and informing future investigations into its orbital physics and potential device applications. |
| title | Momentum-Resolved Electronic Structure and Orbital Hybridization in the Layered Antiferromagnet CrPS$_4$ |
| topic | Materials Science |
| url | https://arxiv.org/abs/2511.17403 |