Spin-resolved Mott crossover and entanglement in the half-filled Hubbard model

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Hauptverfasser: Equbal, Md Fahad, Ahsan, M. A. H.
Format: Preprint
Veröffentlicht: 2025
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author Equbal, Md Fahad
Ahsan, M. A. H.
author_facet Equbal, Md Fahad
Ahsan, M. A. H.
contents We investigate the interaction-driven reorganization of spin and charge correlations in finite Hubbard clusters using exact diagonalization. Focusing on half-filled and lightly doped square lattices, we analyze spin-resolved charge-gaps, local observables, two-point correlation functions, entanglement measures, principal component analysis (PCA) of correlation matrices and quantum-geometry-based distance metrics. At half-filling, we observe the emergence of a robust Mott gap whose spin-dependent component is controlled by the effective exchange energy scale J~4t^2/U at strong coupling, confirming that residual spin dynamics govern the separation between the lowest-spin and the next higher-spin charge excitation channels. Distinct cluster geometries and boundary conditions reveal how spin-singlet versus finite-spin ground-state influence charge and spin responses. Upon one-hole doping, the spin-resolved charge-gaps collapses, indicating restored compressibility and metallic behavior. PCA and quantum-geometry-based analysis provide complementary data-driven and wavefunction-based perspectives on correlation-driven Mott crossover phenomena. Our results demonstrate that finite-size Hubbard clusters exhibit clear signatures of the Mott physics, spin-charge interplay and emergent exchange energy scales, offering a unified microscopic picture of interaction-induced electronic reorganization.
format Preprint
id arxiv_https___arxiv_org_abs_2512_00613
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Spin-resolved Mott crossover and entanglement in the half-filled Hubbard model
Equbal, Md Fahad
Ahsan, M. A. H.
Strongly Correlated Electrons
We investigate the interaction-driven reorganization of spin and charge correlations in finite Hubbard clusters using exact diagonalization. Focusing on half-filled and lightly doped square lattices, we analyze spin-resolved charge-gaps, local observables, two-point correlation functions, entanglement measures, principal component analysis (PCA) of correlation matrices and quantum-geometry-based distance metrics. At half-filling, we observe the emergence of a robust Mott gap whose spin-dependent component is controlled by the effective exchange energy scale J~4t^2/U at strong coupling, confirming that residual spin dynamics govern the separation between the lowest-spin and the next higher-spin charge excitation channels. Distinct cluster geometries and boundary conditions reveal how spin-singlet versus finite-spin ground-state influence charge and spin responses. Upon one-hole doping, the spin-resolved charge-gaps collapses, indicating restored compressibility and metallic behavior. PCA and quantum-geometry-based analysis provide complementary data-driven and wavefunction-based perspectives on correlation-driven Mott crossover phenomena. Our results demonstrate that finite-size Hubbard clusters exhibit clear signatures of the Mott physics, spin-charge interplay and emergent exchange energy scales, offering a unified microscopic picture of interaction-induced electronic reorganization.
title Spin-resolved Mott crossover and entanglement in the half-filled Hubbard model
topic Strongly Correlated Electrons
url https://arxiv.org/abs/2512.00613