arXiv subjects

Yu-Feng Song

Publications and source records attributed to Yu-Feng Song.

12 recordsLinked to original sources

arXiv2026

Thermal Signatures of the Slater-Mott Crossover in the Hubbard Model: From Double Occupancy to Antiferromagnetic Correlation Length

The interaction-driven crossover from a Slater insulator to a Mott insulator in the N\'{e}el-ordered ground state of the Hubbard model is a fundamental paradigm of strongly correlated electrons, yet its quantitative characterization has remained elusive. Here we establish a clear and experimentally accessible thermal criterion for this crossover via the sign change of the temperature derivative of double occupancy, $(\partial D/\partial T)_U$, near zero temperature. In the Slater regime, $(\partial D/\partial T)_U>0$ reflects the major role of charge fluctuations; in the Mott regime, the anomalous $(\partial D/\partial T)_U<0$, a manifestation of the Pomeranchuk effect, signals the dominance of low-energy spin superexchange physics. Using exact diagonalization and {\it numerically exact} quantum Monte Carlo simulations, we demonstrate that this criterion determines the crossover boundary at $U_{\rm cross}/t=4.0(2)$ for the half-filled two-dimensional Hubbard model. Furthermore, we obtain a consistent boundary independently from the maximum in the antiferromagnetic correlation length, which also arises from the superexchange physics. These two thermal signatures are theoretically unified through the local minimum of thermal entropy versus interaction $U$ at low temperatures. Our results offer a direct, measurable, and physically intuitive framework to identify the Slater-Mott crossover in optical lattice experiments.

cond-mat.str-el↗

arXiv2026

Computation of thermal entropy for the doped Hubbard Model

We develop a highly efficient framework for computing the thermal entropy in the doped Fermi-Hubbard model within the grand-canonical ensemble. The framework comprises four calculation schemes that express the entropy as path integrals in the parameter space of temperature, interaction strength, and chemical potential. The integrands involve only fundamental observables, including the total energy, fermion density, and double occupancy, which are readily accessible in a wide range of theoretical and numerical methods. We further derive useful Maxwell relations connecting the entropy to other quantities and present practical formulas for directly evaluating the grand potential. As an application, we compute the entropy of the doped Hubbard model in two and three dimensions, using the numerically unbiased auxiliary-field quantum Monte Carlo method. The test results show excellent agreement across the different schemes and quantitatively verify the Maxwell relations, confirming the reliability of the framework. In two dimensions, we further benchmark our entropy results in physically relevant parameter regimes against diagrammatic Monte Carlo calculations and observe excellent quantitative consistency between the two approaches. By providing an efficient and broadly applicable route for entropy evaluation, our work facilitates the thermodynamic characterization of complex correlated states in the doped Hubbard model.

cond-mat.str-el↗

arXiv2026

Quantum Monte Carlo study of the metal-insulator crossover in the square-lattice Hubbard model

The interaction-driven evolution from a Fermi liquid to a Mott insulator is a hallmark of strongly correlated fermion systems. In this work, we present a {\it numerically unbiased} study of such metal-to-insulator crossover in the half-filled square-lattice Hubbard model at finite temperatures, employing auxiliary-field quantum Monte Carlo method. By jointly analyzing thermodynamic and dynamical observables, we establish the crossover diagram of the model in the temperature-interaction ($T$-$U$) plane. With increasing $U$, our numerical results reveal an extended crossover regime, which we refer to as the {\it Bad Metal}, that separates the Fermi liquid and Mott insulator. During the crossover, we also examine the antiferromagnetic spin correlations and observe pronounced nodal-antinodal dichotomy in the momentum-resolved single-particle spectral functions. Furthermore, we investigate the temperature dependence of several commonly used observables in the model. As representative results, we achieve an accurate map of the thermal entropy across the crossover diagram, and identify the parameter regions in which the model exhibits the Pomeranchuk cooling, characterized by an adiabatic cooling with increasing $U$. Beyond offering a more refined understanding of the crossover phenomenon, our work also provides valuable benchmark and guideline for future optical lattice experiments on the square-lattice Hubbard model.

cond-mat.str-el↗

arXiv2025

Spin-triplet pairing instability in a two-dimensional repulsive Hubbard model

The search for superconductivity with unconventional pairing symmetry has been a central focus in the study of strongly correlated electron systems. In this work, we report a numerically exact study of the spin-triplet pairing in a two-dimensional Hubbard model with repulsive interactions, employing Determinant Quantum Monte Carlo method. The model includes next-nearest-neighbor and third-nearest-neighbor hopping terms, and maintains spin balance. By tuning the fermion filling close to a type-II van Hove singularity (vHs) in the model, we numerically investigate the ordering tendencies of several possible pairing channels with different symmetries. Our numerical results provide clear evidence for the spin-triplet $p$-wave pairing instability approaching low temperatures, as revealed by the vertex contribution to the pairing susceptibility. This signature becomes increasingly pronounced as the interaction strength increases in the weak to intermediate regime. We further find that, near the type-II vHs, the dominant spin-spin correlations in the system are ferromagnetic, suggesting its close relation to the spin-triplet pairing instability. Our findings offer a reliable approach to realize the spin-triplet $p$-wave superfluidity in the repulsive Hubbard model, from an unbiased numerical perspective.

cond-mat.quant-gas↗

arXiv2024

Ising phase transitions and thermodynamics of correlated fermions in a two-dimensional spin-dependent lattice potential

We present a {\it numerically exact} study of the Hubbard model with spin-dependent anisotropic hopping on the square lattice using auxiliary-field quantum Monte Carlo method. At half filling, the system undergoes Ising phase transitions upon cooling, leading to the formation of Ising-type antiferromagnetic order for repulsive interactions and charge-density wave order for attractive interactions at finite temperatures. By elegantly implementing the sign-problem-free condition and Hubbard-Stratonovich transformations, we achieve significant improvements in precision control of the numerical calculations and obtain highly accurate results of the transition temperatures from weak to strong interactions across representative anisotropies. We further characterize the system by examining the temperature dependence of various thermodynamic properties, including the energy, double occupancy, specific heat and charge susceptibility. Specifically, we provide unbiased numerical results of the entropy map on temperature-interaction plane, the critical entropy, and the spin, singlon and doublon correlations, all of which are directly measurable in optical lattice experiments. Away from half filling, we explore the behavior of the sign problem and investigate the possible emergence of stripe spin-density wave order in the system with repulsive interaction.

cond-mat.str-el↗

arXiv2024

Thermal Entropy, Density Disorder and Antiferromagnetism of Repulsive Fermions in 3D Optical Lattice

The celebrated antiferromagnetic (AFM) phase transition was realized in a most recent optical lattice experiment for the 3D fermionic Hubbard model [Shao {\it et al}., Nature {\bf 632}, 267 (2024)]. Despite this important progress, it was observed that the AFM structure factor (and also the critical entropy) reaches the maximum at an interaction strength $U/t\simeq 11.75$, which is significantly larger than the theoretical prediction of $U/t\simeq 8$. Here, we resolve this discrepancy by studying the interplay between the thermal entropy, density disorder, and antiferromagnetism in the half-filled 3D Hubbard model, using numerically exact auxiliary-field quantum Monte Carlo simulations. We have achieved an accurate entropy phase diagram, enabling us to simulate arbitrary entropy path on the temperature-interaction plane and track experimental parameters effectively. We find that above discrepancy can be quantitatively explained by the {\it entropy increase} associated with increasing interaction strength in experiment, and together by the lattice {\it density disorder} present in the experimental setup. We further investigate the entropy dependence of double occupancy and predict universal behaviors that could serve as valuable probes in future optical lattice experiments.

cond-mat.str-el↗

arXiv2024

Self-similar gap dynamics in percolation and rigidity percolation

Spatial self-similarity is a hallmark of critical phenomena. We investigate the dynamic process of percolation, in which bonds are incrementally inserted to an empty lattice until fully occupied, and track the gaps describing the changes in cluster sizes. Surprisingly, we find that the gap sizes follow a universal power-law distribution throughout the whole or a significant portion of process, revealing a previously unrecognized temporal self-similarity. This phenomenon appears across various percolation models, like standard, explosive and rigidity percolation. Furthermore, in rigidity percolation, we directly observe a cascading cluster-merging dynamics, triggered by single bond insertion, and further obtain a distinct temporal self-similarity in the number of merged clusters, which are hidden in static analyses. Our results also suggest that, for rigidity percolation, the temporal self-similarity is probably more intrinsic than the spatial one. These findings offer a fresh perspective on critical phenomena and broaden potential applications across complex systems.

cond-mat.stat-mech↗

arXiv2024

Magnetic, thermodynamic, and dynamical properties of the three-dimensional fermionic Hubbard model: A comprehensive Monte Carlo study

The interplay between quantum and thermal fluctuations can induce rich phenomena at finite temperatures in strongly correlated fermion systems. Here we report a {\it numerically exact} auxiliary-field quantum Monte Carlo (AFQMC) study for the finite-temperature properties of three-dimensional repulsive Hubbard model at half filling. We concentrate on the complete temperature-interaction strength phase diagram of the model, which contains the low-temperature antiferromagnetic (AFM) long-range ordered phase and metal-insulator crossover (MIC) in the paramagnetic phase. Enabling access to unprecedented system sizes up to $20^3$, we achieve highly accurate results of the N\'{e}el transition temperature for representative values of on-site interaction $U$ via finite-size analysis of AFM structure factor. To quantitatively characterize the MIC above the N\'{e}el transition, we have developed fully new techniques allowing to compute the thermal entropy versus $U$ at fixed temperature and to directly calculate the $U$-derivative of double occupancy in AFQMC simulations. Then combining variously thermodynamic and dynamical observables, we establish an efficient scheme to precisely determine the boundaries for the MIC by cross-checking different observables. We also demonstrate the temperature dependence of many commonly used observables. Away from half filling, we explore the behavior of the sign problem and AFM spin correlation versus hole doping, and demonstrate the persistance of N\'{e}el AFM ordered phase to finite doping with limited results.

cond-mat.str-el↗

arXiv2024

Extended Metal-Insulator Crossover with Strong Antiferromagnetic Spin Correlation in Half-Filled 3D Hubbard Model

The Hubbard model at temperatures above the N\'{e}el 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.

cond-mat.str-el↗

arXiv2023

Universality of closed nested paths in two-dimensional percolation

Recent work on percolation in $d=2$ [J. Phys. A {\bf 55} 204002] introduced an operator that gives a weight $k^{\ell}$ to configurations with $\ell$ `nested paths' (NP), i.e. disjoint cycles surrounding the origin, if there exists a cluster that percolates to the boundary of a disc of radius $L$, and weight zero otherwise. It was found that ${\rm E}(k^{\ell}) \sim L^{-X_{\rm NP}(k)}$, and a formula for $X_{\rm NP}(k)$ was conjectured. Here we derive an exact result for $X_{\rm NP}(k)$, valid for $k \ge -1$, replacing the previous conjecture. We find that the probability distribution ${\rm P}_\ell (L)$ scales as $ L^{-1/4} (\ln L)^\ell [(1/\ell!) \Lambda^\ell]$ when $\ell \geq 0$ and $L \gg 1$, with $\Lambda = 1/\sqrt{3} \pi$. Extensive simulations for various critical percolation models confirm our theoretical predictions and support the universality of the NP observables.

cond-mat.stat-mech↗

arXiv2023

Nature of the mixed-parity pairing of attractive fermions with spin-orbit coupling in optical lattice

The admixture of spin-singlet and spin-triplet pairing states in superconductors can be typically induced by breaking spatial inversion symmetry. Employing the {\it numerically exact} auxiliary-field Quantum Monte Carlo method, we study such mixed-parity pairing phenomena of attractive fermions with Rashba spin-orbit coupling (SOC) in two-dimensional optical lattice at finite temperature. We systematically demystify the evolution of the essential pairing structure in both singlet and triplet channels versus the temperature, fermion filling, SOC and interaction strengths, via computing the condensate fraction and pair wave function. Our numerical results reveal that the singlet channel dominates in the fermion pairing and the triplet pairing has relatively small contribution to the superfluidity for physically relevant parameters. In contrast to the singlet channel mainly consisted of the on-site Cooper pairs, the triplet pairing has plentiful patterns in real space with the largest contributions from several nearest neighbors. As the SOC strengh increases, the pairing correlation is firstly enhanced and then suppressed for triplet pairing while it's simply weakened in singlet channel. We have also obtained the Berezinskii-Kosterlitz-Thouless transition temperatures through the finite-size analysis of condensate fraction. Our results can serve as quantitative guide for future optical lattice experiments as well as accurate benchmarks for theories and other numerical methods.

cond-mat.str-el↗

arXiv2021

Nested Closed Paths in Two-Dimensional Percolation

For two-dimensional percolation on a domain with the topology of a disc, we introduce a nested-path operator (NP) and thus a continuous family of one-point functions $W_k \equiv \langle \mathcal{R} \cdot k^\ell \rangle $, where $\ell$ is the number of independent nested closed paths surrounding the center, $k$ is a path fugacity, and $\mathcal{R}$ projects on configurations having a cluster connecting the center to the boundary. At criticality, we observe a power-law scaling $W_k \sim L^{X_{\rm NP}}$, with $L$ the linear system size, and we determine the exponent $X_{\rm NP}$ as a function of $k$. On the basis of our numerical results, we conjecture an analytical formula, $X_{\rm NP} (k) = \frac{3}{4}\phi^2 -\frac{5}{48}\phi^2/ (\phi^2-\frac{2}{3})$ where $k = 2 \cos(\pi \phi)$, which reproduces the exact results for $k=0,1$ and agrees with the high-precision estimate of $X_{\rm NP}$ for other $k$ values. In addition, we observe that $W_2(L)=1$ for site percolation on the triangular lattice with any size $L$, and we prove this identity for all self-matching lattices.

cond-mat.stat-mech↗