Combining matrix product states and mean-field theory to capture magnetic order in quasi-1D cuprates
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| Main Authors: | , , , , , |
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| Format: | Preprint |
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2026
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| author | Staelens, Quentin Verraes, Daan Vrancken, Daan Braeckevelt, Tom Haegeman, Jutho Van Speybroeck, Veronique |
| author_facet | Staelens, Quentin Verraes, Daan Vrancken, Daan Braeckevelt, Tom Haegeman, Jutho Van Speybroeck, Veronique |
| contents | We study quasi-one-dimensional strongly correlated materials using a multi-step approach based on density functional theory, downfolding techniques, and tensor-network simulations. The downfolding procedure yields effective multiband Hubbard models that capture the competition between electron hopping and local Coulomb interactions relevant to the system's low-energy properties. The resulting multiband Hubbard models are solved using matrix product states. Applied to Sr$_2$CuO$_3$, SrBaCuO$_3$, and Ba$_2$CuO$_3$, this purely one-dimensional treatment yields no long-range magnetic order, in contrast to the magnetic ordering observed experimentally. To account for this behavior, we extend the multi-step approach by incorporating interchain couplings through a self-consistent mean-field scheme. This combined approach stabilizes finite staggered magnetizations, providing a consistent description of magnetic order in agreement with experiment. For Sr$_2$CuO$_{3.5}$ and SrCuO$_2$, we also tested an approach proposed for ladder materials, however, we find that these materials are not well suited for this approach due to the small magnitude of the intraladder hopping parameters. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2602_21695 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Combining matrix product states and mean-field theory to capture magnetic order in quasi-1D cuprates Staelens, Quentin Verraes, Daan Vrancken, Daan Braeckevelt, Tom Haegeman, Jutho Van Speybroeck, Veronique Strongly Correlated Electrons We study quasi-one-dimensional strongly correlated materials using a multi-step approach based on density functional theory, downfolding techniques, and tensor-network simulations. The downfolding procedure yields effective multiband Hubbard models that capture the competition between electron hopping and local Coulomb interactions relevant to the system's low-energy properties. The resulting multiband Hubbard models are solved using matrix product states. Applied to Sr$_2$CuO$_3$, SrBaCuO$_3$, and Ba$_2$CuO$_3$, this purely one-dimensional treatment yields no long-range magnetic order, in contrast to the magnetic ordering observed experimentally. To account for this behavior, we extend the multi-step approach by incorporating interchain couplings through a self-consistent mean-field scheme. This combined approach stabilizes finite staggered magnetizations, providing a consistent description of magnetic order in agreement with experiment. For Sr$_2$CuO$_{3.5}$ and SrCuO$_2$, we also tested an approach proposed for ladder materials, however, we find that these materials are not well suited for this approach due to the small magnitude of the intraladder hopping parameters. |
| title | Combining matrix product states and mean-field theory to capture magnetic order in quasi-1D cuprates |
| topic | Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2602.21695 |