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Dai-Wei Qu

Publications and source records attributed to Dai-Wei Qu.

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Thermal Tensor Network Simulations of Lattice Fermions with Fixed Filling

Numerical simulations of strongly correlated fermions at finite temperature are essential for studying high-temperature superconductivity and other quantum many-body phenomena. The recently developed tangent-space tensor renormalization group (tanTRG) provides an efficient and accurate framework by representing thermal density operators as matrix product operators. However, the particle number generally varies during the cooling process. The conventional strategy of fine-tuning chemical potentials to reach a target filling is computationally demanding. Here we propose a fixed-$N$ tanTRG algorithm that stabilizes the average particle number by adaptively tuning the chemical potential within the imaginary-time evolution. We benchmark its accuracy on exactly solvable free fermions, and further apply it to the square-lattice Hubbard model. For hole-doped cases, we study the temperature evolution of charge and spin correlations, identifying several characteristic temperature scales for stripe formation. Our results establish fixed-$N$ tanTRG as an efficient and reliable tool for finite-temperature studies of correlated fermion systems.

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$d$-wave FFLO state and charge-2e supersolidity in the $t$-$t'$-$J$ model under Zeeman fields

Unconventional superconductivity under strong Zeeman fields--particularly beyond the Pauli paramagnetic limit--remains a central challenge in condensed matter physics. The exotic Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) state, in particular, remains in need of definitive study within fundamental electronic models. Here we employ state-of-the-art finite-temperature and ground-state tensor network approaches to systematically explore the superconducting (SC) phase diagram of the $t$-$t'$-$J$ model subjected to Zeeman fields. We find that zero-momentum $d$-wave superconductivity persists until the spin gap closes, coexisting with charge density waves. A novel $d$-wave FFLO phase emerges under a higher Zeeman field even above the Pauli limit, concomitant with a field-enhanced spin density waves. We identify these phases, characterized by the simultaneous presence of pairing condensate and density wave orders, as charge-2e supersolids. Analysis of Matsubara Green's function reveals that the FFLO pairing momentum is locked to the underlying Fermi surface. Our results provide microscopic insights into field-induced unconventional pairing mechanisms and reveal the long-sought FFLO state in a fundamental correlated electron model, offering a promising route for its realization in ultracold atom optical lattice.

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Universal Magnetocaloric Effect near Quantum Critical Point of Magnon Bose-Einstein Condensation

Bose-Einstein condensation (BEC), a macroscopic quantum phenomenon arising from phase coherence and bosonic statistics, has been realized in quantum magnets. Here, we report the observation of a universal magnetocaloric effect (MCE) near a BEC quantum critical point (QCP) in copper sulfate crystal ($CuSO_4 \cdot 5H_2O$). By conducting magnetocaloric and nuclear magnetic resonance measurements, we uncover a field-driven BEC QCP, evidenced by the universal scaling law $T_c \propto (B_c - B)^{2/3}$ and the perfect data collapse of the magnetic Grüneisen ratio. Thermal excitation triggers a dimensional crossover to a 1D quantum-critical regime, where the MCE scaling strictly matches the universality class of 1D Fermi gases. Notably, the quantum-critical MCE enables cooling down to 12.8 mK without helium-3, with very fast thermal relaxation rate that is critical for high cooling power. This work demonstrates the universal MCE in magnon BEC systems, using a common copper sulfate compound as a paradigmatic example, and paves the way for next-generation sub-Kelvin cooling.

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Hund's Rule, Interorbital Hybridization, and High-$T_c$ Superconductivity in the Bilayer Nickelate

Understanding the pairing mechanism in bilayer nickelate superconductors constitutes a fascinating quest. Here we investigate the intriguing interplay between Hund's rule coupling and interorbital hybridization in a two-orbital model for bilayer nickelates, using a comprehensive tensor network approach: density matrix renormalization group for finite-size systems, infinite projected entangled-pair states in the thermodynamic limit, and thermal tensor networks for finite-temperature properties. We explain the pressure-dependent high-$T_c$ superconductivity observed in experiment, by identifying three distinct superconductive (SC) regimes: hybridization dominant, Hund's rule dominant, and the hybrid-Hund synergistic SC regimes. In these SC regimes, both $d_{x^2-y^2}$ and $d_{z^2}$ orbitals exhibit algebraic pairing correlations with similar Luttinger parameters $K_{\mathrm{SC}}$. However, the former exhibits a much stronger amplitude than the latter, with a distinctly higher SC characteristic temperature $T_c^*$, below which the pairing susceptibility diverges as $χ_{\mathrm{SC}}(T) \sim 1/T^{2-K_{\mathrm{SC}}}$. With realistic model parameters, we find the pressurized La$_3$Ni$_2$O$_7$ falls into the Hund's rule dominated SC regime. As hybridization further enhances with pressure, it leads to significant interorbital frustration and in turn suppresses the SC correlations, explaining the rise and fall of high-$T_c$ superconductivity under high pressure. Our results offer a comprehensive understanding of the interlayer pairing in superconducting La$_3$Ni$_2$O$_7$.

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Phase Diagram, $d$-Wave Superconductivity, and Pseudogap of the $t$-$t'$-$J$ Model at Finite Temperature

Recently, robust $d$-wave superconductive (SC) order has been unveiled in the ground state of the 2D $t$-$t'$-$J$ model -- with both nearest-neighbor ($t$) and next-nearest-neighbor ($t'$) hoppings -- by density matrix renormalization group studies. However, there is currently a debate on whether the $d$-wave SC holds up strong on both $t'/t>0$ and $t'/t<0$ cases for the $t$-$t'$-$J$ model, which correspond to the electron- and hole-doped sides of the cuprate phase diagram, respectively. Here we exploit state-of-the-art thermal tensor network approach to accurately obtain the phase diagram of the $t$-$t'$-$J$ model on cylinders with widths up to $W=6$ and down to low temperature as $T/J \simeq 0.06$, pushing the boundaries of contemporary finite-$T$ calculations. For $t'/t>0$, we find a dome-like SC regime with a diverging $d$-wave pairing susceptibility, $χ_\textrm{SC} \propto 1/T^α$ below a characteristic temperature $T_c^*$. Near optimal doping, $T_c^*$ reaches its highest value of about $0.15 J$. Above $T_c^*$ yet below a higher crossover temperature $T^*$, the magnetic susceptibility becomes suppressed, which can be related to the onset of pseudogap (PG) behaviors. On the other hand, for $t'/t<0$ we find the pairing correlations are much weaker, although there exhibits a node-antinode structure in the PG regime as observed in the hole-doped cuprates. The thermal tensor network calculations of the $t$-$t'$-$J$ model underscore both the similarities and differences in the finite-temperature phase diagram between the fundamental model and cuprates, yielding unique insights into their intricate behaviors.

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Bilayer $t$-$J$-$J_\perp$ Model and Magnetically Mediated Pairing in the Pressurized Nickelate La$_3$Ni$_2$O$_7$

The recently discovered nickelate superconductor La$_3$Ni$_2$O$_7$ has a high transition temperature near 80 K under pressure, which offers additional avenues of unconventional superconductivity. Here with state-of-the-art tensor-network methods, we study a bilayer $t$-$J$-$J_\perp$ model for La$_3$Ni$_2$O$_7$ and find a robust $s$-wave superconductive (SC) order mediated by interlayer magnetic couplings. Large-scale density matrix renormalization group calculations find algebraic pairing correlations with Luttinger parameter of $K_{\rm SC} \simeq 1$. Infinite projected entangled-pair state method obtains a nonzero SC order directly in the thermodynamic limit, and estimates a strong pairing strength $\barΔ_z \sim \mathcal{O}(0.1)$. Tangent-space tensor renormalization group simulations further determine a high SC temperature $T_c^*/J \sim \mathcal{O}(0.1)$ and clarify the temperature evolution of SC order. Because of the intriguing orbital selective behaviors and strong Hund's rule coupling in the compound, $t$-$J$-$J_\perp$ model has strong interlayer spin exchange (while negligible interlayer hopping), which greatly enhances the SC pairing in the bilayer system. Such a magnetically mediated strong pairing has also been observed recently in the optical lattice of ultracold atoms. Our accurate and comprehensive tensor-network calculations reveal robust SC order in the bilayer $t$-$J$-$J_\perp$ model and shed light on the high-$T_c$ superconductivity in the pressurized nickelate La$_3$Ni$_2$O$_7$.

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Ground-state phase diagram of the extended two-leg $t$-$J$ ladder

Inspired by the observation of a robust $d$-wave superconducting phase driven by tuning the next-nearest-neighbor (NNN) electron hopping in recent density matrix renormalization group (DMRG) studies of six- and eight-leg $t$-$J$ model, we systematically study the phase diagram of the two-leg $t$-$J$ ladder with the NNN couplings (including NNN hopping and spin interaction) in a large region of doping level, by means of the DMRG calculations. Upon doping from half filling, we identify the Luther-Emery liquid (LEL) phase, which can be distinguished as the pairing-dominant and charge density-dominant regime by comparing the Luttinger parameter $K_ρ$. With the growing NNN couplings, pairing correlations are enhanced and correspondingly $K_ρ$ increases, driving the system from the density-dominant to the pairing-dominant regime. In the Tomonaga-Luttinger liquid (TLL) phase in the larger doping region, we identify two TLL regimes with different features of charge density correlation. At the quarter filling ($1/2$ doping level), we find that the strong dimer orders of bond energy in the open system actually decay algebraically and thus do not indicate a spontaneous translational symmetry breaking. Our results show that in the LEL phase of the two-leg ladder, the NNN couplings seem to play the similar role as that on the wider $t$-$J$ cylinder, and studies on this more accessible system can be helpful towards understanding the emergence of the remarkable $d$-wave superconducting phase on the wider system.

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Spin-Triplet Pairing Induced by Near-Neighbor Attraction in the Cuprate Chain

In quantum materials, the electronic interaction and the electron-phonon coupling are, in general, two essential ingredients, the combined impact of which may drive exotic phases. Recently, an anomalously strong electron-electron attraction, mediated by phonons, has been unveiled in one-dimensional copper-oxide chain Ba$_{2-x}$Sr$_x$CuO$_{3+δ}$. Yet, it is unclear how this strong near-neighbor attraction $V$ influences the superconductivity pairing in the compound. Here we perform accurate many-body calculations to study the extended Hubbard model with on-site Coulomb repulsion $U>0$ and attraction $V<0$ that well describes the cuprate chain and likely other similar transition-metal materials with both strong correlations and lattice effects. We find a rich quantum phase diagram containing an intriguing Tomonaga-Luttinger liquid phase -- besides the spin density wave and various phase separation phases -- that can host dominant spin-triplet pairing correlations and divergent superconductive susceptibility. Upon doping, the spin-triplet superconducting regime can be further broadened in the parameter space and extends to larger $U$, offering a feasible mechanism to realize $p$-wave superconductivity in realistic cuprate chains.

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Identification of Magnetic Interactions and High-field Quantum Spin Liquid in $α$-RuCl$_3$

The frustrated magnet $α$-RuCl$_3$ constitutes a fascinating quantum material platform that harbors the intriguing Kitaev physics. However, a consensus on its intricate spin interactions and field-induced quantum phases has not been reached yet. Here we exploit multiple state-of-the-art many-body methods and determine the microscopic spin model that quantitatively explains major observations in $α$-RuCl$_3$, including the zigzag order, double-peak specific heat, magnetic anisotropy, and the characteristic M-star dynamical spin structure, etc. According to our model simulations, the in-plane field drives the system into the polarized phase at about 7 T and a thermal fractionalization occurs at finite temperature, reconciling observations in different experiments. Under out-of-plane fields, the zigzag order is suppressed at 35 T, above which, and below a polarization field of 100 T level, there emerges a field-induced quantum spin liquid. The fractional entropy and algebraic low-temperature specific heat unveil the nature of a gapless spin liquid, which can be explored in high-field measurements on $α$-RuCl$_3$.

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Universal Thermodynamics in the Kitaev Fractional Liquid

In the Kitaev honeycomb model, the quantum spin fractionalizes into itinerant Majorana and gauge flux spontaneously upon cooling, leading to rich experimental ramifications at finite temperature and an upsurge of research interest. In this work, we employ the exponential tensor renormalization group approach to explore the Kitaev model under various perturbations, including the external fields, Heisenberg, and the off-diagonal couplings that are common in the Kitaev materials. Through large-scale manybody calculations, we find a Kitaev fractional liquid at intermediate temperature that is robust against perturbations. The fractional liquid exhibits universal thermodynamic behaviors, including the fractional thermal entropy, metallic specific heat, and an intermediate-temperature Curie law of magnetic susceptibility. The emergent universal susceptibility behavior, with a modified Curie constant, can be ascribed to the strongly fluctuating $\mathbb{Z}_2$ fluxes as well as the extremely short-ranged and bond-directional spin correlations. With this insight, we revisit the susceptibility measurements of Na$_2$IrO$_3$ and $α$-RuCl$_3$, and find evident signatures of finite-temperature fractionalization and ferromagnetic Kitaev couplings. Moreover, the peculiar spin correlation in the fractional liquid corresponds to a stripy structure factor which rotates in the extended Brillouin zone as the spin component changes. Therefore, our findings encourage future experimental exploration of fractional liquid in the Kitaev materials by thermodynamic measurements and spin-resolved structure factor probes.

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Thermal Tensor Network Simulations of the Heisenberg Model on the Bethe Lattice

We have extended the canonical tree tensor network (TTN) method, which was initially introduced to simulate the zero-temperature properties of quantum lattice models on the Bethe lattice, to finite temperature simulations. By representing the thermal density matrix with a canonicalized tree tensor product operator, we optimize the TTN and accurately evaluate the thermodynamic quantities, including the internal energy, specific heat, and the spontaneous magnetization, etc, at various temperatures. By varying the anisotropic coupling constant $Δ$, we obtain the phase diagram of the spin-1/2 Heisenberg XXZ model on the Bethe lattice, where three kinds of magnetic ordered phases, namely the ferromagnetic, XY and antiferromagnetic ordered phases, are found in low temperatures and separated from the high-$T$ paramagnetic phase by a continuous thermal phase transition at $T_c$. The XY phase is separated from the other two phases by two first-order phase transition lines at the symmetric coupling points $ Δ=\pm 1$. We have also carried out a linear spin wave calculation on the Bethe lattice, showing that the low-energy magnetic excitations are always gapped, and find the obtained magnon gaps in very good agreement with those estimated from the TTN simulations. Despite the gapped excitation spectrum, Goldstone-like transverse fluctuation modes, as a manifestation of spontaneous continuous symmetry breaking, are observed in the ordered magnetic phases with $|Δ|\le 1$. One remarkable feature there is that the prominent transverse correlation length reaches $ξ_c=1/\ln{(z-1)}$ for $T\leq T_c$, the maximal value allowed on a $z$-coordinated Bethe lattice.

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Two-temperature scales in the triangular-lattice Heisenberg antiferromagnet

The anomalous thermodynamic properties of the paradigmatic frustrated spin-1/2 triangular lattice Heisenberg antiferromagnet (TLH) has remained an open topic of research over decades, both experimentally and theoretically. Here we further the theoretical understanding based on the recently developed, powerful exponential tensor renormalization group (XTRG) method on cylinders and stripes in a quasi one-dimensional (1D) setup, as well as a tensor product operator approach directly in 2D. The observed thermal properties of the TLH are in excellent agreement with two recent experimental measurements on the virtually ideal TLH material Ba$_8$CoNb$_6$O$_{24}$. Remarkably, our numerical simulations reveal two crossover temperature scales, at $T_l/J \sim 0.20$ and $T_h/J\sim 0.55$, with $J$ the Heisenberg exchange coupling, which are also confirmed by a more careful inspection of the experimental data. We propose that in the intermediate regime between the low-temperature scale $T_l$ and the higher one $T_h$, the gapped "roton-like" excitations are activated with a strong chiral component and a large contribution to thermal entropies, which suppress the incipient 120$^\circ$ order that emerges for temperatures below $T_l$.

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