Searcharxiv⌕ Search

arXiv · 2610.27779

Spin fluctuations and nearly isotropic quasiparticles in the doped three-dimensional Hubbard model

Abstract

Away from half filling and above its Neel temperature, the three-dimensional Hubbard model is a paramagnetic metal with antiferromagnetic spin fluctuations, where controlled momentum-resolved results have been lacking. Using connected-determinant diagrammatic Monte Carlo, we compute the momentum-resolved self-energy for n = 0.4-0.95, T/t = 0.05-0.33 and U/t = 4-8, and the full-zone spin susceptibility at twelve of these points, focusing on U/t = 4. At U/t = 4 and toward half filling the spin fluctuations become strong: for n = 0.7-0.9 at T/t = 0.14 they enhance the susceptibility peak up to sevenfold and raise the momentum-dependent part of the scattering rate to four to five times its second-order value. They are driven by an effective spin interaction screened to about 2U/3 and nearly uniform over the zone. Yet the peak height is set by the slightly smaller value of this interaction at the peak wave vector, and near magnetic order this small difference changes the height by a large factor. Two-particle self-consistent theory reproduces the peak because its sum rule fixes its single constant interaction near this value, but for n = 0.7-0.9 at T/t = 0.14 its self-energy overestimates the local scattering rate and underestimates the momentum-dependent part. Though strong, the fluctuations are short ranged, with a correlation length of at most about two lattice spacings, and for n = 0.7-0.9 and T/t >= 0.14 the scattering rate near the Fermi surface varies by at most about 1% at fixed band energy, without hot spots. At U/t = 4 dynamical mean-field theory (DMFT) reproduces the local scattering rate and quasiparticle weight within a few percent, and the nonlocal part it misses is approximately a function of the band energy. Strong spin fluctuations thus coexist with nearly isotropic quasiparticles, and the results provide a benchmark for extensions of DMFT and for spin-fluctuation theories.

Explore related subjects

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

Pengcheng Hou, Kun Chen, Youjin Deng. 2026-10-20. Spin fluctuations and nearly isotropic quasiparticles in the doped three-dimensional Hubbard model. https://arxiv.org/abs/2610.27779

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

Quantum Spin Singlet Ground State with Large Excitation Gap in the S = 3/2 quasi-1D van der Waals materials MoX3 (X = I, Br)

We report the first experimental evidence for a quantum-disordered spin-singlet ground state and gapped triplon excitations in quasi-one-dimensional van der Waals materials. The insulating van der Waals trihalides MoI3 and MoBr3 are analyzed in a combined thermodynamic, spectroscopic, and theoretical investigation. These materials contain structurally dimerized atomic chains of face-sharing octahedra with alternating short and long Mo-Mo separations along the chain direction. Temperature-dependent bulk magnetic susceptibility measurements reveal a broad thermally activated response consistent with a large spin gap. Inelastic neutron scattering (INS) spectra provide direct evidence of a collective spin gap at an exceptionally large energy transfer of ~ 30 meV (~ 348 K) for MoBr3. The absence of low-energy magnetic spectral weight and the activated susceptibility are inconsistent with a conventional classical antiferromagnetic ground state. Instead, they point to a spin-singlet ground state with a large singlet-triplet excitation gap. To identify the microscopic origin of this gap, we perform density matrix renormalization group (DMRG) calculations on one-dimensional spin chains using exchange constants derived from density functional theory (DFT). The dominance of the single dimer exchange term allows the inter-dimer coupling along the chain and between chains to be treated using perturbation theory. Intrachain exchange lowers the isolated-dimer triplet energy by producing a dispersive triplon band. INS data show the triplon bandwidth to be ~ 20 meV. Interchain coupling produces negligible additional bandwidth on the order of 1 meV. The INS measurements directly establish quantum spin-singlet and triplon physics in MoBr3 with a large singlet-triplet gap on the scale of room temperature, while the susceptibility and theoretical results indicate closely analogous behavior in MoI3.

cond-mat.str-el↗

Néel Ordered Magnetic Phases in Bipartite Quasicrystals

Magnetism is a fundamental research area in which the recently proposed altermagnetism (AM) has become an emergent frontier. Very recently, the quasicrystal (QC) was proposed as a possible platform to realize AM. However, the existence of AM in QCs still lacks vigorous evidence. In this work, we adopt the sign-problem-free projector quantum Monte Carlo (PQMC) algorithm to investigate the magnetic phases in the half-filled Hubbard models in various 2D bipartite QCs, and always obtain Néel ordered states. While the Néel states in bipartite crystals are usually antiferromagnetism (AFM), we find it common that those in bipartite QCs can also be AM or ferrimagnetism (FIM). Based on symmetry analysis, combined with our comprehensive PQMC results, we propose a general criterion for determining the magnetism classes of the Néel states in a bipartite QC: According to whether the two sublattices are related by inversion, a non-inversion point-group operation such as mirror or rotation, or no operation about the unique symmetry center, the corresponding Néel state is AFM, AM or FIM / geometry-enforced AM (G-AM), respectively. The G-AM is a special type of $s$-wave AM caused by the unique QC structure formed through projection from high-dimensional crystals to lower dimensions, which is rare in crystals. For example, our results yield symmetry-protected AM for the two $D_4$-symmetric Thue-Morse QCs and G-AM for the $D_5$-symmetric Penrose QC at half-filling. Our results provide a solid foundation for experimental investigations and potential applications of different classes of magnetism in QCs.

cond-mat.str-el↗

Magnetic exchange interactions in the molecular orbital spin system NaV2O5 from a distributed moment point of view

The magnetism in NaV2O5 results from doping of the narrow split-off conduction band of V2O5, which becomes half-filled and leads to a Mott-insulating splitting of spin resolved bands with anti-ferromagnetic order of the spins along the zigzag chains. In the Pmmn structure the spin of this S = 1/2 system is equally shared between two vanadium atoms, residing in a molecular orbital type state. While below 34 K a charge disproportionation occurs into V4+ and V5+, the situation above this temperature is less clear and amounts to a fluctuating moment with equal probability of occupancy of each V. While traditionally described as a quarter-filled ladder system with electron spin localized on the rungs of the ladder, we here take a distributed moment approach in terms of the spin density lumped into individual atomic magnetic sites, including the small induced moments on the oxygen atoms. Exchange interactions are calculated between these sites using a linear response approach based on quasiparticle-self-consistent GW band structures. Surprisingly we find the exchange interactions between the small magnetic moments induced on the vanadyl and bridge oxygen sites to be larger than the exchange interactions between vanadium atoms. Their role in the critical temperature is found to be crucial. The spin wave spectra obtained from this classical Heisenberg type Hamiltonian contains unusual optic spin wave type collective excitations of high energy, the significance of which is discussed.

cond-mat.str-el↗