Extended Metal-Insulator Crossover with Strong Antiferromagnetic Spin Correlation in Half-Filled 3D Hubbard Model
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| Format: | Preprint |
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2024
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| _version_ | 1866913660363866112 |
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| author | Song, Yu-Feng Deng, Youjin He, Yuan-Yao |
| author_facet | Song, Yu-Feng Deng, Youjin He, Yuan-Yao |
| contents | The Hubbard model at temperatures above the Néel transition, despite being a paramagnet, can exhibit rich physics due to the interplay of Fermi surface, on-site interaction $U$ and thermal fluctuations. Nevertheless, the understanding of the crossover physics remains only at a qualitative level, because of the intrinsically smooth behavior. Employing an improved variant of the {\it numerically exact} auxiliary-field quantum Monte Carlo algorithm equipped with numerical analytic continuation, we obtain a broad variety of thermodynamic and dynamical properties of the three-dimensional Hubbard model at half filling, quantitatively determine the crossover boundaries, and observe that the metal-insulator crossover regime, in which antiferromagnetic spin correlations appear strongest, exists over an extended regime in between the Fermi liquid for small $U$ and the Mott insulator for large $U$. In particular, the location of the most rapid suppression of double occupancy as $U$ increases, is found to fully reside in the metallic Fermi liquid regime, in contrast to the conventional intuition that it is a representative feature for entering the Mott insulator. Beside providing a reliable methodology for numerical study of crossover physics, our work can also serve as a timely and important guideline for the most recent optical lattice experiments. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2404_08745 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Extended Metal-Insulator Crossover with Strong Antiferromagnetic Spin Correlation in Half-Filled 3D Hubbard Model Song, Yu-Feng Deng, Youjin He, Yuan-Yao Strongly Correlated Electrons The Hubbard model at temperatures above the Néel transition, despite being a paramagnet, can exhibit rich physics due to the interplay of Fermi surface, on-site interaction $U$ and thermal fluctuations. Nevertheless, the understanding of the crossover physics remains only at a qualitative level, because of the intrinsically smooth behavior. Employing an improved variant of the {\it numerically exact} auxiliary-field quantum Monte Carlo algorithm equipped with numerical analytic continuation, we obtain a broad variety of thermodynamic and dynamical properties of the three-dimensional Hubbard model at half filling, quantitatively determine the crossover boundaries, and observe that the metal-insulator crossover regime, in which antiferromagnetic spin correlations appear strongest, exists over an extended regime in between the Fermi liquid for small $U$ and the Mott insulator for large $U$. In particular, the location of the most rapid suppression of double occupancy as $U$ increases, is found to fully reside in the metallic Fermi liquid regime, in contrast to the conventional intuition that it is a representative feature for entering the Mott insulator. Beside providing a reliable methodology for numerical study of crossover physics, our work can also serve as a timely and important guideline for the most recent optical lattice experiments. |
| title | Extended Metal-Insulator Crossover with Strong Antiferromagnetic Spin Correlation in Half-Filled 3D Hubbard Model |
| topic | Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2404.08745 |