Origin of metal-insulator transition in rare-earth Nickelates
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arXiv
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| Autores principales: | , , , , , , |
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| Formato: | Preprint |
| Publicado: |
2025
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| _version_ | 1866915626124050432 |
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| author | Acharya, Swagata Tellekamp, Brooks Jackson, Jerome Pashov, Dimitar Blackburn, Jeffrey L. Alberi, Kirstin van Schilfgaarde, Mark |
| author_facet | Acharya, Swagata Tellekamp, Brooks Jackson, Jerome Pashov, Dimitar Blackburn, Jeffrey L. Alberi, Kirstin van Schilfgaarde, Mark |
| contents | Rare-earth nickelates RNiO3 (R=rare-earth element) exhibit three kinds of phase transitions with decreasing temperature: a structural transition from a pseudo-cubic to a monoclinic phase, a metal- insulator transition (MIT), and a magnetic transition from a paramagnetic state to an ordered one. The first two occur at the same temperature, which has led to a consensus that the MIT is driven by lattice distortions. We show here that the primary driving force for the MIT is magnetic; however because of the unusual d7 configuration of Ni, additional flexibility in spin configurations are also needed which symmetry-lowing structural deformations make possible. The latter enable Ni to disproportionate into two kinds: a high-spin and a low-spin configuration, which allow the system to reduce its unfavorable orbital moment and also open a gap. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2511_14960 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Origin of metal-insulator transition in rare-earth Nickelates Acharya, Swagata Tellekamp, Brooks Jackson, Jerome Pashov, Dimitar Blackburn, Jeffrey L. Alberi, Kirstin van Schilfgaarde, Mark Strongly Correlated Electrons Materials Science Superconductivity Rare-earth nickelates RNiO3 (R=rare-earth element) exhibit three kinds of phase transitions with decreasing temperature: a structural transition from a pseudo-cubic to a monoclinic phase, a metal- insulator transition (MIT), and a magnetic transition from a paramagnetic state to an ordered one. The first two occur at the same temperature, which has led to a consensus that the MIT is driven by lattice distortions. We show here that the primary driving force for the MIT is magnetic; however because of the unusual d7 configuration of Ni, additional flexibility in spin configurations are also needed which symmetry-lowing structural deformations make possible. The latter enable Ni to disproportionate into two kinds: a high-spin and a low-spin configuration, which allow the system to reduce its unfavorable orbital moment and also open a gap. |
| title | Origin of metal-insulator transition in rare-earth Nickelates |
| topic | Strongly Correlated Electrons Materials Science Superconductivity |
| url | https://arxiv.org/abs/2511.14960 |