Hubbard dimer physics and the magnetostructural transition in the correlated cluster material Nb$_3$Cl$_8$
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| Main Authors: | , , , , , , , |
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| Format: | Preprint |
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2025
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| _version_ | 1866912570149961728 |
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| author | Carta, Alberto Mlkvik, Peter Grahlow, Fabian Ströbele, Markus Meyer, H. -Jürgen Romao, Carl P. Spaldin, Nicola A. Ederer, Claude |
| author_facet | Carta, Alberto Mlkvik, Peter Grahlow, Fabian Ströbele, Markus Meyer, H. -Jürgen Romao, Carl P. Spaldin, Nicola A. Ederer, Claude |
| contents | We present a combined computational and experimental study of Nb$_3$Cl$_8$, a correlated layered material containing Nb trimers, through the lens of competing intra- and intercluster interactions. Different proposed explanations for its magnetostructural transition such as charge disproportionation, antiferromagnetic quenching, and interlayer singlet formation are investigated in light of the various reported low-temperature structures. Our findings rule out the previously proposed charge-disproportionation, suggest an intricate interplay between Mott physics and the formation of interlayer singlets, and also hint at a possible explanation of the observed intratrimer scissoring distortion. We suggest that the physics of Nb$_3$Cl$_8$ should be understood in the context of weakly coupled Hubbard dimers. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2509_03988 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Hubbard dimer physics and the magnetostructural transition in the correlated cluster material Nb$_3$Cl$_8$ Carta, Alberto Mlkvik, Peter Grahlow, Fabian Ströbele, Markus Meyer, H. -Jürgen Romao, Carl P. Spaldin, Nicola A. Ederer, Claude Strongly Correlated Electrons Materials Science We present a combined computational and experimental study of Nb$_3$Cl$_8$, a correlated layered material containing Nb trimers, through the lens of competing intra- and intercluster interactions. Different proposed explanations for its magnetostructural transition such as charge disproportionation, antiferromagnetic quenching, and interlayer singlet formation are investigated in light of the various reported low-temperature structures. Our findings rule out the previously proposed charge-disproportionation, suggest an intricate interplay between Mott physics and the formation of interlayer singlets, and also hint at a possible explanation of the observed intratrimer scissoring distortion. We suggest that the physics of Nb$_3$Cl$_8$ should be understood in the context of weakly coupled Hubbard dimers. |
| title | Hubbard dimer physics and the magnetostructural transition in the correlated cluster material Nb$_3$Cl$_8$ |
| topic | Strongly Correlated Electrons Materials Science |
| url | https://arxiv.org/abs/2509.03988 |