arXiv subjects

Wen-Jun Hu

Publications and source records attributed to Wen-Jun Hu.

At least 19 recordsLinked to original sources

arXiv2021

Fragility of the nematic spin liquid induced by diagonal couplings in the square-lattice SU(3) model

We present a large-scale density matrix renormalization group (DMRG) study of the spin-$1$ SU(3) bilinear-biquadratic model on the square lattice, which was suggested to host a nematic spin liquid state in recent DMRG calculations. We report that this spin liquid appears to strongly compete with a three-sublattice magnetic order. To further study the competition between the two states, and the reason of the emergent nematic spin liquid, we included an additional next-nearest-neighbor SU(3) symmetric interactions along one of the two plaquette diagonal directions. This allows to tune the square-lattice model to the triangular-lattice model. By computing spin correlation functions and various order parameters, we find that the three-sublattice order may develop at infinitesimal additional new coupling, at least within the precision of our study. Compared with the previous findings that the nematic spin liquid is stable in extended parameter regions with additional couplings that respect the lattice symmetries of the square lattice, we argue that here the diagonal couplings, which frustrate the bipartite-lattice structure, rapidly suppress the two-sublattice fluctuations and the three-sublattice order thus wins. This numerical result is consistent with the conjecture that the nematic spin liquid emerges from the competition between two- and three-sublattice fluctuations.

cond-mat.str-el↗

arXiv2020

Origin of the Magnetic and Orbital ordering in $α$-Sr$_2$CrO$_4$

Motivated by recent experimental progress in transition metal oxides with the K$_2$NiF$_4$ structure, we investigate the magnetic and orbital ordering in $α$-Sr$_2$CrO$_4$. Using first principles calculations, first we derive a three-orbital Hubbard model, which reproduces the {\it ab initio} band structure near the Fermi level. The unique reverse splitting of $t_{2g}$ orbitals in $α$-Sr$_2$CrO$_4$, with the $3d^2$ electronic configuration for the Cr$^{4+}$ oxidation state, opens up the possibility of orbital ordering in this material. Using real-space Hartree-Fock for multi-orbital systems, we constructed the ground-state phase diagram for the two-dimensional compound $α$-Sr$_2$CrO$_4$. We found stable ferromagnetic, antiferromagnetic, antiferro-orbital, and staggered orbital stripe ordering in robust regions of the phase diagram. Furthermore, using the density matrix renormalization group method for two-leg ladders with the realistic hopping parameters of $α$-Sr$_2$CrO$_4$, we explore magnetic and orbital ordering for experimentally relevant interaction parameters. Again, we find a clear signature of antiferromagnetic spin ordering along with antiferro-orbital ordering at moderate to large Hubbard interaction strength. We also explore the orbital-resolved density of states with Lanczos, predicting insulating behavior for the compound $α$-Sr$_2$CrO$_4$, in agreement with experiments. Finally, an intuitive understanding of the results is provided based on a hierarchy between orbitals, with $d_{xy}$ driving the spin order, while electronic repulsion and the effective one dimensionality of the movement within the $d_{xz}$ and $d_{yz}$ orbitals driving the orbital order.

cond-mat.str-el↗

arXiv2020

Quantum Transitions of Nematic Phases in a Spin-$1$ Bilinear-Biquadratic Model and Their Implications for FeSe

Since its discovery, iron-based superconductivity has been known to develop near an antiferromagnetic order, but this paradigm fails in the iron chalcogenide FeSe, whose single-layer version holds the record for the highest superconducting transition temperature in the iron-based superconductors. The striking puzzle that FeSe displays nematic order (spontaneously broken lattice rotational symmetry) while being non-magnetic, has led to several competing proposals for its origin in terms of either the $3d$-electron's orbital degrees of freedom or spin physics in the form of frustrated magnetism. Here we argue that the phase diagram of FeSe under pressure could be qualitatively described by a quantum spin model with highly frustrated interactions. We implement both the site-factorized wave-function analysis and the large-scale density matrix renormalization group (DMRG) in cylinders to study the spin-$1$ bilinear-biquadratic model on the square lattice, and identify quantum transitions from the well-known $(π,0)$ antiferromagnetic state to an exotic $(π,0)$ antiferroquadrupolar order, either directly or through a $(π/2,π)$ antiferromagnetic state. These many phases, while distinct, are all nematic. We also discuss our theoretical ground-state phase diagram for the understanding of the experimental low-temperature phase diagram obtained by the NMR [P. S. Wang {\it et al.}, Phys. Rev. Lett. 117, 237001 (2016)] and X-ray scattering [K. Kothapalli {\it et al.}, Nature Communications 7, 12728 (2016)] measurements in pressurized FeSe. Our results suggest that superconductivity in a wide range of iron-based materials has a common origin in the antiferromagnetic correlations of strongly correlated electrons.

cond-mat.str-el↗

arXiv2020

Fractionalized Excitations Revealed by Entanglement Entropy

Fractionalized excitations develop in many unusual many-body states such as quantum spin liquids, disordered phases that cannot be described using any local order parameter. Because these exotic excitations correspond to emergent degrees of freedom, how to probe them and establish their existence is a long-standing challenge. We present a general procedure to reveal the fractionalized excitations using real-space entanglement entropy in critical spin liquids that are particularly relevant to experiments. Moreover, we show how to use the entanglement entropy to construct the corresponding spinon Fermi surface. Our work defines a new pathway to establish and characterize exotic excitations in novel quantum phases of matter.

cond-mat.str-el↗

arXiv2020

Density Matrix Renormalization Group Study of Nematicity in Two Dimensions: Application to a Spin-$1$ Bilinear-Biquadratic Model on the Square Lattice

Nematic order is an exotic property observed in several strongly correlated systems, such as the iron-based superconductors. Using large-scale density matrix renormalization group (DMRG) techniques, we study at zero-temperature the nematic spin liquid that competes with spin dipolar and quadrupolar orders. We use these nematic orders to characterize different quantum phases and quantum phase transitions. More specifically, we study a spin-$1$ bilinear-biquadratic Heisenberg model on the square lattice with couplings beyond nearest neighbors. We focus on parameter regions around the highly symmetric $SU(3)$ point where the bilinear and biquadratic interactions are equal. With growing further-neighbor biquadratic interactions, we identify different spin dipolar and quadrupolar orders. We find that the DMRG results on cylindrical geometries correctly detect nematicity in different quantum states and accurately characterize the quantum phase transitions among them. Therefore, spin-driven nematicity -- here defined as the spontaneous breaking of the lattice invariance under a 90$^o$ rotation -- is an order parameter which can be studied directly in DMRG calculations in two dimensions in different quantum states.

cond-mat.str-el↗

arXiv2019

Nematic Spin Liquid Phase in a Frustrated Spin-1 System on the Square Lattice

Frustration in quantum spin systems promote a variety of novel quantum phases. An important example is the frustrated spin-$1$ model on the square lattice with the nearest-neighbor bilinear ($J_1$) and biquadratic ($K_1$) interactions. We provide strong evidence for a nematic spin liquid phase in a range of $K_1/J_1$ near the SU(3)-symmetric point ($J_1 = K_1$), based on the linear flavor-wave theory and extensive density matrix renormalization group calculation. This phase displays no spin dipolar or quadrupolar order, preserves translational symmetry but spontaneously breaks $C_4$ lattice rotational symmetry, and possesses fluctuations peaked at the wavevector $(π, 2π/3)$. The spin excitation gap drops rapidly with system size and appears to be gapless, and the nematic order is attributed to the dominant $(π, 2π/3)$ fluctuations. Our results provide a novel mechanism for electronic nematic order and, more generally, open up a new avenue to explore frustration-induced exotic ground states.

cond-mat.str-el↗

arXiv2019

Deep Learning-Enhanced Variational Monte Carlo Method for Quantum Many-Body Physics

Artificial neural networks have been successfully incorporated into variational Monte Carlo method (VMC) to study quantum many-body systems. However, there have been few systematic studies of exploring quantum many-body physics using deep neural networks (DNNs), despite of the tremendous success enjoyed by DNNs in many other areas in recent years. One main challenge of implementing DNN in VMC is the inefficiency of optimizing such networks with large number of parameters. We introduce an importance sampling gradient optimization (ISGO) algorithm, which significantly improves the computational speed of training DNN in VMC. We design an efficient convolutional DNN architecture to compute the ground state of a one-dimensional (1D) SU($N$) spin chain. Our numerical results of the ground-state energies with up to 16 layers of DNN show excellent agreement with the Bethe-Ansatz exact solution. Furthermore, we also calculate the loop correlation function using the wave function obtained. Our work demonstrates the feasibility and advantages of applying DNNs to numerical quantum many-body calculations.

cond-mat.str-el↗

arXiv2019

Nematic and Antiferromagnetic Quantum Criticality in a Multi-Orbital Hubbard Model for Iron Pnictides

The extent to which quantum criticality drives the physics of iron pnictides is a central question in the field. Earlier theoretical considerations were based on an effective field theory, and the proposed realization in P-doped iron arsenides has received extensive experimental evidence. To connect the quantum critical behavior with the underlying electronic physics, it is important to analyze it within microscopic models. Here, we do so for a multi-orbital model containing both Hubbard and Hund's interactions, by a variational Monte Carlo method based on Jastrow-Slater wave functions that allow for a non-perturbative treatment of electron correlations. We find strong evidence for the existence of a unique quantum critical point, where both nematic and $(π,0)$ antiferromagnetic orders develop together, in the bad-metal regime of the phase diagram. Implications of our results for the iron-based superconductivity are discussed.

cond-mat.str-el↗

arXiv2018

Kondo Destruction and Multipolar Order-- Implications for Heavy Fermion Quantum Criticality

Quantum criticality beyond the Landau paradigm represents a fundamental problem in condensed matter and statistical physics. Heavy fermion systems with multipolar degrees of freedom can play an important role in the search for its universal description. We consider a Kondo lattice model with both spin and quadrupole degrees of freedom, which we show to exhibit an antiferroquadrupolar phase. Using a field theoretical representation of the model, we find that Kondo couplings are exactly marginal in the renormalization group sense in this phase. This contrasts with the relevant nature of the Kondo couplings in the paramagnetic phase and, as such, it implies that a Kondo destruction and a concomitant small to large Fermi surface jump must occur as the system is tuned from the antiferroquadrupolar ordered to the paramagnetic phase. Implications of our results for multipolar heavy fermion physics in particular and metallic quantum criticality in general are discussed.

cond-mat.str-el↗

arXiv2018

Spin-isotropic continuum of spin excitations in antiferromagnetically ordered Fe$_{1.07}$Te

Unconventional superconductivity typically emerges in the presence of quasi-degenerate ground states, and the associated intense fluctuations are likely responsible for generating the superconducting state. Here we use polarized neutron scattering to study the spin space anisotropy of spin excitations in Fe$_{1.07}$Te exhibiting bicollinear antiferromagnetic (AF) order, the parent compound of FeTe$_{1-x}$Se$_x$ superconductors. We confirm that the low energy spin excitations are transverse spin waves, consistent with a local-moment origin of the bicollinear AF order. While the ordered moments lie in the $ab$-plane in Fe$_{1.07}$Te, it takes less energy for them to fluctuate out-of-plane, similar to BaFe$_2$As$_2$ and NaFeAs. At energies above $E\gtrsim20$ meV, we find magnetic scattering to be dominated by an isotropic continuum that persists up to at least 50 meV. Although the isotropic spin excitations cannot be ascribed to spin waves from a long-range ordered local moment antiferromagnet, the continuum can result from the bicollinear magnetic order ground state of Fe$_{1.07}$Te being quasi-degenerate with plaquette magnetic order.

cond-mat.supr-con↗

arXiv2017

Unified Spin Model for Magnetic Excitations in Iron Chalcogenides

Recent inelastic neutron scattering (INS) measurements on FeSe and Fe(Te$_{1-x}$Se$_x$), have sparked intense debate over the nature of the ground state in these materials. Here we propose an effective bilinear-biquadratic spin model which is shown to consistently describe the evolution of low-energy spin excitations in FeSe, both under applied pressure and upon Se/Te substitution. The phase diagram, studied using a combination of variational mean-field, flavor-wave calculations, and density-matrix renormalization group (DMRG), exhibits a sequence of transitions between the columnar antiferromagnet common to the iron pnictides, the non-magnetic ferroquadrupolar phase attributed to FeSe, and the double-stripe antiferromagnetic order known to exist in Fe$_{1+y}$Te. The calculated spin structure factor in these phases mimics closely that observed with INS in the Fe(Te$_{1-x}$Se$_x$), series. In addition to the experimentally established phases, the possibility of incommensurate magnetic order is also predicted.

cond-mat.str-el↗

arXiv2017

Antiferroquadrupolar order and rotational symmetry breaking in a generalized bilinear-biquadratic model on a square lattice

The magnetic and nematic properties of the iron chalcogenides have recently been the subject of intense interest. Motivated by the proposed antiferroquadrupolar and Ising-nematic orders for the bulk FeSe, we study the phase diagram of an $S=1$ generalized bilinear-biquadratic model with multi-neighbor interactions. We find a large parameter regime for a ($π$,0) antiferroquadrupolar phase, showing how quantum fluctuations stabilize it by lifting an infinite degeneracy of certain semiclassical states. Evidence for this C$_4$-symmetry-breaking quadrupolar phase is also provided by an unbiased density matrix renormalization group analysis. We discuss the implications of our results for FeSe and related iron-based superconductors.

cond-mat.str-el↗

arXiv2016

Spin Ferroquadrupolar Order in the Nematic Phase of FeSe

We provide evidence that spin ferroquadrupolar (FQ) order is the likely ground state in the nonmagnetic nematic phase of stoichiometric FeSe. By studying the variational mean-field phase diagram of a bilinear-biquadratic Heisenberg model up to the 2nd nearest neighbor, we find the FQ phase in close proximity to the columnar antiferromagnet commonly realized in iron-based superconductors; the stability of FQ phase is further verified by the density matrix renormalization group. The dynamical spin structure factor in the FQ state is calculated with flavor-wave theory, which yields a qualitatively consistent result with inelastic neutron scattering experiments on FeSe at both low and high energies. We verify that FQ can coexist with $C_4$ breaking environments in the mean-field calculation, and further discuss the possibility that quantum fluctuations in FQ act as a source of nematicity.

cond-mat.str-el↗

arXiv2016

Frustrated magnetism and bicollinear antiferromagnetic order in FeTe

Iron chalcogenides display a rich variety of electronic orders in their phase diagram. A particularly enigmatic case is FeTe, a metal which possesses co-existing hole and electron Fermi surfaces as in the iron pnictides but has a distinct ($π$/2,$π/2$) bicollinear antiferromagnetic order in the Fe square lattice. While local-moment physics has been recognized as essential for understanding the electronic order, it has been a long-standing challenge to understand how the bicollinear antiferromagnetic ground state emerges in a proper quantum spin model. We show here that a bilinear-biquadratic spin-$1$ model on a square lattice with nonzero ring-exchange interactions exhibits the bicollinear antiferromagnetic order over an extended parameter space in its phase diagram. Our work shows that frustrated magnetism in the quantum spin model provides a unified description of the electronic orders in the iron chalcogenides and iron pnictides.

cond-mat.str-el↗

arXiv2016

Variational Monte Carlo study of chiral spin liquid in quantum antiferromagnet on the triangular lattice

By using Gutzwiller projected fermionic wave functions and variational Monte Carlo technique, we study the spin-$1/2$ Heisenberg model with the first-neighbor ($J_1$), second-neighbor ($J_2$), and additional scalar chiral interaction $J_χ{\bf S}_i \cdot ({\bf S}_j \times {\bf S}_k)$ on the triangular lattice. In the non-magnetic phase of the $J_1-J_2$ triangular model with $0.08 \lesssim J_2/J_1 \lesssim 0.16$, recent density-matrix renormalization group (DMRG) studies [Zhu and White, Phys. Rev. B {\bf 92}, 041105 (2015); Hu, Gong, Zhu, and Sheng, Phys. Rev. B {\bf 92}, 140403 (2015)] find a possible gapped spin liquid with the signal of a competition between a chiral and a $Z_2$ spin liquid. Motivated by the DMRG results, we consider the chiral interaction $J_χ{\bf S}_i \cdot ({\bf S}_j \times {\bf S}_k)$ as a pertubation for this non-magnetic phase. We find that with growing $J_χ$, the gapless U(1) Dirac spin liquid, which has the best variational energy for $J_χ=0$, exhibits the energy instability towards a gapped spin liquid with non-trivial magnetic fluxes and nonzero chiral order. We calculate topological Chern number and ground-state degeneracy, both of which identify this flux state as the chiral spin liquid with fractionalized Chern number $C=1/2$ and two-fold topological degeneracy. Our results indicate a positive direction to stabilize a chiral spin liquid near the non-magnetic phase of the $J_1-J_2$ triangular model.

cond-mat.str-el↗

arXiv2016

Spin liquid nature in the Heisenberg $J_{1}$-$J_{2}$ triangular antiferromagnet

We investigate the spin-$\frac{1}{2}$ Heisenberg model on the triangular lattice in the presence of nearest-neighbor $J_1$ and next-nearest-neighbor $J_2$ antiferromagnetic couplings. Motivated by recent findings from density-matrix renormalization group (DMRG) claiming the existence of a gapped spin liquid with signatures of spontaneously broken lattice point group symmetry [Zhu and White, Phys. Rev. B 92, 041105 (2015); Hu, Gong, Zhu, and Sheng, Phys. Rev. B 92, 140403 (2015)], we employ the variational Monte Carlo (VMC) approach to analyze the model from an alternative perspective that considers both magnetically ordered and paramagnetic trial states. We find a quantum paramagnet in the regime $0.08\lesssim J_2/J_1\lesssim 0.16$, framed by $120^{\circ}$ coplanar (stripe collinear) antiferromagnetic order for smaller (larger) $J_2/J_1$. By considering the optimization of spin-liquid wave functions of a different gauge group and lattice point group content as derived from Abrikosov mean-field theory, we obtain the gapless $U(1)$ Dirac spin liquid as the energetically most preferable state in comparison to all symmetric or nematic gapped $\mathbb{Z}_{2}$ spin liquids so far advocated by DMRG. Moreover, by the application of few Lanczos iterations, we find the energy to be the same as the DMRG result within error-bars. To further resolve the intriguing disagreement between VMC and DMRG, we complement our methodological approach by the pseudofermion functional renormalization group (PFFRG) to compare the spin structure factors for the paramagnetic regime calculated by VMC, DMRG, and PFFRG. This model promises to be an ideal test-bed for future numerical refinements in tracking the long-range correlations in frustrated magnets.

cond-mat.str-el↗

arXiv2015

Variational Monte Carlo study of gapless spin liquid in the spin-$1/2$ XXZ antiferromagnetic model on the kagome lattice

By using the variational Monte Carlo technique, we study the spin-$1/2$ XXZ antiferromagnetic model (with easy-plane anisotropy) on the kagome lattice. A class of Gutzwiller projected fermionic states with a spin Jastrow factor is considered to describe either spin liquids (with $U(1)$ or $Z_2$ symmetry) or magnetically ordered phases (with ${\bf q}=(0,0)$ or ${\bf q}=(4π/3,0)$). We find that the magnetic states are not stable in the thermodynamic limit. Moreover, there is no energy gain to break the gauge symmetry from $U(1)$ to $Z_2$ within the spin-liquid states, as previously found in the Heisenberg model. The best variational wave function is therefore the $U(1)$ Dirac state, supplemented by the spin Jastrow factor. Furthermore, a vanishing $S=2$ spin gap is obtained at the variational level, in the whole regime from the $XY$ to the Heisenberg model.

cond-mat.str-el↗

arXiv2015

Competing Spin Liquid States in the Spin-$1/2$ Heisenberg Model On Triangular Lattice

We study the spin-$1/2$ Heisenberg model on the triangular lattice with the antiferromagnetic first ($J_1$) and second ($J_2$) nearest-neighbor interactions using density matrix renormalization group. By studying the spin correlation function, we find a $120^{\circ}$ magnetic order phase for $J_2 \lesssim 0.07 J_1$ and a stripe antiferromagnetic phase for $J_2 \gtrsim 0.15 J_1$. Between these two phases, we identify a spin liquid region characterized by the exponential decaying spin and dimer correlations, as well as the large spin singlet and triplet excitation gaps on finite-size systems. We find two near degenerating ground states with distinct properties in two sectors, which indicates more than one spin liquid candidates in this region. While the sector with spinon is found to respect the time reversal symmetry, the even sector without a spinon breaks such a symmetry for finite-size systems. Furthermore, we detect the signature of the fractionalization by following the evolution of different ground states with inserting spin flux into the cylinder system. Moreover, by tuning the anisotropic bond coupling, we explore the nature of the spin liquid phase and find the optimal parameter region for the gapped $Z_2$ spin liquid.

cond-mat.str-el↗