arXiv subjects

Z. Y. Xie

Publications and source records attributed to Z. Y. Xie.

At least 19 recordsLinked to original sources

arXiv2026

Ground-state phase diagram and route to supersolidity in a two-component extended Bose-Hubbard model

We investigate the ground-state phase diagram of a two-component extended Bose-Hubbard model recently realized with dipolar excitons, using the projected entangled-pair states. For the experimentally relevant parameter regime, checkerboard, Mott-insulating, superfluid, and vacuum phases are identified. These phases exhibit orbital-selective character, wherein the two components occupy different quantum states, but we find no evidence for a supersolid phase. The absence of supersolidity is attributed to the strongly interaction-dominated microscopic energy scales, which severely restrict the superfluid regime. Guided by the supersolid mechanism, we further explore a nearby parameter regime with enhanced hopping of one component and identify an orbital-selective supersolid phase. Further finite bond-dimension and unit-cell analyses establish the robustness of this phase. Our results clarify the zero-temperature phase structure of the dipolar-exciton platform and provide a possible route toward realizing supersolidity in this setting.

cond-mat.quant-gas↗

arXiv2026

Generalized Holstein-Primakoff transformation with optimizable bosonic truncation

Spin-wave theory provides a quasiparticle description of excitation spectra in quantum spin systems. In this theory, the spin operators are usually bosonized by the Holstein-Primakoff transformation or the Dyson-Maleev transformation. In practical calculations, the bosonized Hamiltonian has to be truncated, and thus the resulting excitation spectra depend on the choice of bosonic representation. Here, we introduce a generalized Holstein-Primakoff transformation that continuously interpolates between the conventional Holstein-Primakoff and Dyson-Maleev transformations through a single parameter. The formulation naturally extends to the SU(N) algebra and provides a flexible framework for optimizing bosonic truncations beyond harmonic order. As an application, we investigate the spin-1 bilinear-biquadratic model on the square lattice. By combining the generalized Holstein-Primakoff transformation with continuous similarity transformations, we obtain excitation spectra in excellent agreement with tensor-network calculations. Our results demonstrate that optimizing the bosonic representation substantially reduces truncation errors and provides quantitatively reliable descriptions of both quasiparticle dispersions and multi-boson continua.

cond-mat.str-el↗

arXiv2026

Laser-intensity-spike-dominated hot electron generation from two-plasmon decay instability driven by moderate-bandwidth pulses

Our direct-drive-relevant experiments on the low-coherence Kunwu laser facility identify two-plasmon decay (TPD) as the primary source of hot electrons, and demonstrate for the first time that broadband laser pulses enhance TPD. Using particle-in-cell simulations, we attribute this TPD enhancement and the consequent hot electron production to stochastic intensity spikes inherent in broadband laser fields, robust in both weakly- and strongly-driven regimes. These findings suggest that mitigating hot electron generation requires suppressing these intensity spikes.

physics.plasm-ph↗

arXiv2026

Grassmann tensor networks

Developing non-perturbative methods to reveal exotic properties of strongly correlated fermionic systems remains one of the most essential tasks of theoretical physics. Tensor network methods with Grassmann algebra offer powerful numerical tools for fermionic many-body systems in the coherent-state path-integral representation. Despite their vast potential for both condensed-matter and particle-physics communities, Grassmann tensor network methods are somewhat underexploited in practical simulations. In this work, we provide a detailed, self-contained introduction to Grassmann tensor network methods, from the basics of the Grassmann tensor operations to the Grassmannization of typical tensor network algorithms. Furthermore, the resulting Grassmann tensor network methods are validated in several interesting models in both particle physics and condensed matter physics.

cond-mat.str-el↗

arXiv2026

Phase diagram of the single-flavor Gross--Neveu--Wilson model from the Grassmann corner transfer matrix renormalization group

We investigate the phase structure of the single-flavor Gross--Neveu model with Wilson fermions using the Grassmann corner transfer matrix renormalization group (CTMRG). The path integral is formulated as a two-dimensional Grassmann tensor network and approximately contracted by the Grassmann CTMRG algorithm. We investigate the phase diagram by varying the fermion mass and the four-fermion coupling, using the pseudoscalar condensate as an order parameter for the $\mathbb{Z}_{2}$ parity symmetry breaking phase. The universality classes of the phase boundaries are identified through the central charge $c$ obtained via scaling analysis of the entanglement entropy. Furthermore, we extract the quantity related to the entanglement spectrum from the converged CTMRG environments, allowing us to distinguish the topological insulator phase and the trivial phase. The resulting phase structure suggests that the Aoki phase is separated from the other phases by critical lines characterized by $c=1/2$, while the critical lines with $c=1$ separate the topological insulating and trivial phases. Our numerical results also indicate that the Aoki phase does not persist in the strong-coupling regime for the single-flavor theory.

hep-lat↗

arXiv2026

Probing universal imaginary-time relaxation critical dynamics with infinite projected entangled pair states

We investigate the imaginary-time relaxation critical dynamics of the two-dimensional transverse-field Ising model using infinite projected entangled pair states (iPEPS) with the full-update strategy. Simulating directly in the thermodynamic limit, we explore the relaxation process near the critical point with two types of initial states: a fully polarized state and a product state with a small magnetization. For the fully polarized state, the magnetization shows a power law scaling $M\propto τ^{-β/(νz)}$ in the imaginary-time evolution, from which both the critical point and critical exponent can be determined with high accuracy. For the nearly paramagnetic state, the relaxation process exhibits a behavior of $M\propto τ^θ$ with $θ=0.1958$ being the critical initial-slip exponent, which is in good agreement with that obtained from the dynamic scaling of the self-correlation in quantum Monte Carlo method. These universal features emerge well before the system converges to the ground state, demonstrating the efficiency of imaginary-time evolution for probing quantum criticality. Our results demonstrate that iPEPS can serve as a robust and scalable method for studying dynamical critical phenomena in two-dimensional quantum many-body systems.

cond-mat.str-el↗

arXiv2026

Single-layer framework of variational tensor network states

We propose a single-layer tensor network framework for the variational determination of ground states in two-dimensional quantum lattice models. By combining the nested tensor network method [Phys. Rev. B 96, 045128 (2017)] with the automatic differentiation technique, our approach can reduce the computational cost by three orders of magnitude in bond dimension, and therefore enables highly efficient variational ground-state calculations. We demonstrate the capability of this framework through two quantum spin models: the antiferromagnetic Heisenberg model on a square lattice and the frustrated Shastry-Sutherland model. Even without GPU acceleration or symmetry implementation, we have achieved a bond dimension of nine and obtained accurate ground-state energy and consistent order parameters compared to prior studies. In particular, we confirm the existence of an intermediate empty-plaquette valence bond solid ground state in the Shastry-Sutherland model. We have further discussed the convergence of the algorithm and its potential improvements. Our work provides a promising route for large-scale tensor network calculations of two-dimensional quantum systems.

cond-mat.str-el↗

arXiv2026

Probing quantum critical crossover via impurity renormalization group

Quantum impurities can host exotic many-body states that serve as sensitive probes of bath correlations. However, quantitative and non-perturbative methods for determining impurity thermodynamics in such settings remain scarce. Here, we introduce an impurity renormalization group approach that merges the tensor-network representation with the numerical renormalization group cutoff scheme. This method overcomes conventional limitations by treating bath correlations and impurity interactions on an equal footing. Applying our approach to the finite-temperature quantum critical regime of quantum spin systems, we uncover striking impurity-induced phenomena. In a coupled Heisenberg ladder, the impurity triggers a fractionalization of the local magnetic moment. Moreover, the derivative of the impurity susceptibility develops cusps that mark the crossover into the quantum critical regime. We also observe an exotic evolution of the spin correlation function driven by the interplay between bath correlations and the impurity. Our results demonstrate that this method can efficiently solve correlated systems with defects, opening new pathways to discovering novel impurity physics beyond those in non-interacting thermal baths.

cond-mat.str-el↗

arXiv2025

Spin excitations of the Shastry-Sutherland model -- altermagnetism and deconfined quantum criticality

Frustrated quantum magnets can host a variety of exotic spin excitations, including fractionalized spin excitations coupled to emergent gauge fields at deconfined quantum critical points (DQCPs) and chiral magnons in altermagnets. Here, we investigate the spin excitation spectra of the highly frustrated $S=1/2$ antiferromagnetic (AFM) Shastry-Sutherland model, focusing on the evolution of low-energy collective modes from the Néel AFM phase to the plaquette valence bond solid (PVBS). We demonstrate that the AFM state exhibits altermagnetic behavior, characterized by a non-relativistic splitting between two chiral magnon bands. Furthermore, we identify two additional low-energy excitations: a Higgs mode in the longitudinal excitation channel and an $S=0$ excitation with vanishing spectral weight. As the system approaches the AFM-to-PVBS transition, both these modes soften along with the lowest-energy triplet and singlet modes in the PVBS state. The closing gap of the Higgs mode, combined with the nearly degenerate velocities of $S=1$ and $S=0$ excitations, provides spectral evidence that the AFM-to-PVBS transition is proximate to a DQCP with emergent $O(4)$ symmetry. Our results help clarify the spectral signature of a broad class of symmetry enhanced quantum phase transitions including deconfined quantum criticality.

cond-mat.str-el↗

arXiv2025

Determination of ground states of one-dimensional quantum systems using the cluster iTEBD method

Within the framework of imaginary-time evolution for matrix product states, we introduce a cluster version of the infinite time-evolving block decimation algorithm for simulating quantum many-body systems, addressing the computational accuracy challenges in strongly correlated physics. By redefining the wave-function ansatz to incorporate multiple physical degrees of freedom, we enhance the representation of entanglement, thereby improving the accuracy of the ground states. Utilizing the Trotter-Suzuki decomposition and optimized truncation schemes, our method maintains roughly the same computational complexity while capturing more quantum correlations. We apply this approach to three nontrivial cases: the gapless spin-1/2 Heisenberg chain, the spin-1 anisotropic XXZD chain with a higher-order Gaussian-type phase transition, and a spin-1/2 twisted triangular prism hosting a magnetic plateau phase. Improved accuracy in physical quantities, such as magnetization, ground-state energy, and entanglement entropy, has been demonstrated. This method provides a scalable framework for studying complex quantum systems with high precision, making it suitable for situations where a pure increase in bond dimension alone cannot guarantee satisfactory results.

cond-mat.str-el↗

arXiv2025

Asymptotic Freedom and Finite-size Scaling of Two-dimensional Classical Heisenberg Model

The classical Heisenberg model is one of the most fundamental models in statistical and condensed matter physics. Extensive theoretical and numerical studies suggest that, in two dimensions, this model does not exhibit a finite-temperature phase transition but instead manifests asymptotic freedom. However, some research has also proposed the possibility of a Berezinskii-Kosterlitz-Thouless (BKT) phase transition over the years. In this study, we revisit the classical two-dimensional (2D) Heisenberg model through large-scale simulations with linear system sizes up to $L=16384$. Our Monte-Carlo data, without any extrapolation, clearly reveal an exponential divergence of the correlation length $ξ$ as a function of inverse temperature $β$, a hallmark of asymptotic freedom. Moreover, extrapolating $ξ$ to the thermodynamic limit in the low-temperature regime achieves close agreement with the three-loop perturbative calculations. We further propose a finite-size scaling (FSS) ansatz for $ξ$, demonstrating that the pseudo-critical point $β_L$ diverges logarithmically with $L$. The thermodynamic and finite-size scaling behaviors of the magnetic susceptibility $χ$ are also investigated and corroborate the prediction of asymptotic freedom. Our work provides solid evidence for asymptotic freedom in the 2D Heisenberg model and advances understanding of finite-size scaling in such systems.

cond-mat.stat-mech↗

arXiv2025

Antiferromagnetic two-dimensional transition-metal nitride Co$_2$N$_2$ layer with high N$\rm \acute{\textbf e}$el temperature and Dirac fermions

Two-dimensional (2D) transition metal nitrides have a wide prospect of applications in the fields of physics, chemistry, materials, etc. However, 2D transition metal nitrides with strong magnetism, especially high N$\rm \acute{e}$el temperature, are very scarce. Based on the first-principles calculations within the framework of density functional theory, we design two 2D transition-metal nitrides \textit{M}$_2$N$_2$ (\textit{M} = Ti, Co), in which the transition metal atoms and the N atoms form a 2D layer with a wrinkled structure. The structural stability is demonstrated by the cohesive energy, formation energy, elastic constants, phonon spectra and molecular dynamics simulations. Elastic moduli calculations reveal that the mechanical properties of the two structures are anisotropic. Spin-polarized calculations show that Ti$_2$N$_2$ is a 2D ferromagnetic material while Co$_2$N$_2$ is a 2D antiferromagnetic semimetal with a Dirac point at Fermi level. Furthermore, by solveing the Heisenberg model by Monte Carlo method, we discover that the 2D Co$_2$N$_2$ layer is a high-temperature antiferromagnetic material and the N$\rm \acute{e}$el temperature is up to 474 K. Therefore, our findings provide a rare antiferromagnetic 2D material with both high critical temperature and Dirac Fermions.

cond-mat.mtrl-sci↗

arXiv2025

Ferroelectricity originating from polar moiety flipping

A wide variety of applications has inspired great interest in designing new materials and investigating fundamental physics in the ferroelectric field. In the concept of ferroelectricity, the spontaneous polarization is traditionally considered a core property, but we find that the `spontaneous' seems unnecessary. Based on this understanding, we suggest a new type of ferroelectric materials, in which the polar atomic moiety is incorporated to realize the electric polarization and the polar atomic moiety flipping corresponds to the reversal of electric polarization. Lead hydroxyapatite Pb$_{10}$(PO$_4$)$_6$(OH)$_2$ containing polar OH moieties is taken as an example to illustrate our idea, in which the OH moiety flipping result in the reversal of electric polarization. The mechanism of ferroelectricity reported herein distinctly differs from those of the displacive type, disorder-order type, and interlayer sliding type ferroelectric materials in the previous studies.

cond-mat.mtrl-sci↗

arXiv2024

Quantum dynamics in a spin-1/2 square lattice $J_{1}$-$J_{2}$-$δ$ altermagnet

A key feature of the newly discovered altermagnet is that its spin degeneracy is lifted, although it has an antiferromagnetic order and zero net magnetization. In this work, we investigate a frustrated spin-1/2 $J_1$-$J_2$-$δ$ Heisenberg model on the square lattice by the tensor network methodin combination with the linear spin-wave theory, with our focus on both the magnon excitations and longitudinal excitations.For a small $J_2$ and a finite range of $δ$ we demonstrate that such a model hosts an altermagnetic ground state. Its magnon spectrum is split into two branches and the largest splitting occurs at $\left(\pmπ/2, \pmπ/2\right)$ in the Brillouin zone. The magnitudes of splitting in the two magnon modes are equal with respect to the case of $δ=0$. Dynamical spin structure factors show that the low-energy peak in the longitudinal spectral weight around $(π/2, π/2)$ is also split, and thus the relative positions of the magnon modes and longitudinal modes in energy may change in the presence of a finite $δ$. These findings demonstrate that the altermagnets harbor more complex quantum dynamics than the conventional collinear antiferromagnets.

cond-mat.str-el↗

arXiv2024

Susceptibility indicator for chiral topological orders emergent from correlated fermions

Chiral topological orders formed in correlated fermion systems have been widely explored. However, the mechanism on how they emerge from interacting fermions is still unclear. Here, we propose a susceptibility condition. Under this condition, we show that chiral topological orders can spontaneously take place in correlated fermion systems. The condition leads to a low-energy effective theory of bosons with strong frustration, mimicking the flat band systems. The frustration then melts the long-range orders and results in topological orders with time-reversal symmetry breaking. We apply the theory to strongly-correlated semiconductors doped to the metallic phase. A novel excitonic topological order with semionic excitations and chiral excitonic edge state is revealed. We also discuss the application to frustrated magnets. The theory predicts a chiral spin liquid state, which is numerically confirmed by our tensor network calculations. These results demonstrate an unprecedented indicator for chiral topological orders, which bridges the existing gap between interacting fermions and correlated topological matter.

cond-mat.str-el↗

arXiv2024

The Green's function Monte Carlo combined with projected entangled pair state approach to the frustrated $J_1$-$J_2$ Heisenberg model

The tensor network algorithm, a family of prevalent numerical methods for quantum many-body problems, aptly captures the entanglement properties intrinsic to quantum systems, enabling precise representation of quantum states. However, its computational cost is notably high, particularly in calculating physical observables like correlation functions. To surmount the computational challenge and enhance efficiency, we propose integrating the Green's function Monte Carlo (GFMC) method with the projected entangled pair state (PEPS) ansatz. This approach combines the high-efficiency characteristics of Monte Carlo with the sign-free nature of tensor network states and proves effective in addressing the computational bottleneck. To showcase its prowess, we apply this hybrid approach to investigate the antiferromagnetic $J_1$-$J_2$ Heisenberg model on the square lattice, a model notorious for its sign problem in quantum Monte Carlo simulations. Our results reveal a substantial improvement in the accuracy of ground-state energy when utilizing a preliminary PEPS as the guiding wave function for GFMC. By calculating the structure factor and spin-spin correlation functions, we further characterize the phase diagram, identifying a possible columnar valence-bond state phase within the intermediate parameter range of $0.52 < J_2/J_1 < 0.58$. This comprehensive study underscores the efficacy of our combined approach, demonstrating its ability to accurately simulate frustrated quantum spin systems while ensuring computational efficiency.

cond-mat.str-el↗

arXiv2023

Structural, electronic, magnetic properties of Cu-doped lead-apatite Pb$_{10-x}$Cu$_x$(PO$_4$)$_6$O

The recent report of superconductivity in the Cu-doped PbPO compound stimulates the extensive researches on its physical properties. Herein, the detailed atomic and electronic structures of this compound are investigated, which are the necessary information to explain the physical properties, including possible superconductivity. By the first-principles electronic structure calculations, we find that the partial replacement of Pb at $4f$ site by Cu atom, instead of Pb at $6h$ site, plays a crucial role in dominating the electronic state at Fermi energy. The $3d$ electronic orbitals of Cu atom emerge near the Fermi energy and exhibit strong spin-polarization, resulting in the local moment around the doped Cu atom. Particularly, the ground state of Pb$_{10-x}$Cu$_x$(PO$_4$)$_6$O (x = 1) is determined to be a semiconducting phase, in good agreement with the experimental measurements.

cond-mat.supr-con↗

arXiv2023

Efficient calculation of three-dimensional tensor networks

We have proposed an efficient algorithm to calculate physical quantities in the translational invariant three-dimensional tensor networks, which is particularly relevant to the study of the three-dimensional classical statistical models and the (2+1)-dimensional quantum lattice models. In the context of a classical model, we determine the partition function by solving the dominant eigenvalue problem of the transfer matrix, whose left and right dominant eigenvectors are represented by two projected entangled simplex states. These two projected entangled simplex states are not Hermitian conjugate to each other but are appropriately arranged so that their inner product can be computed much more efficiently than in the usual prescription. For the three-dimensional Ising model, the calculated internal energy and spontaneous magnetization agree with the published results in the literature. The possible improvement and extension to other models are also discussed.

cond-mat.stat-mech↗