Gutzwiller-projected Wave Functions Research Articles

Unveiling a critical stripy state in the triangular-lattice SU(4) spin-orbital model

The simplest spin-orbital model can host a nematic spin-orbital liquid state on the triangular lattice. We provide clear evidence that the ground state of the SU(4) Kugel-Khomskii model on the triangular lattice can be well described by a “single” Gutzwiller projected wave function with an emergent parton Fermi surface, despite it exhibits strong finite-size effect in quasi-one-dimensional cylinders. The finite-size effect can be resolved by the fact that the parton Fermi surface consists of open orbits in the reciprocal space. Thereby, a stripy liquid state is expected in the two-dimensional limit, which preserves the SU(4) symmetry while breaks the translational symmetry by doubling the unit cell along one of the lattice vector directions. It is indicative that these stripes are critical and the central charge is c=3, in agreement with the SU(4)1 Wess-Zumino-Witten conformal field theory. All these results are consistent with the Lieb-Schultz-Mattis-Oshikawa-Hastings theorem.

Density matrix renormalization group boosted by Gutzwiller projected wave functions

We propose to boost the performance of the density matrix renormalization group (DMRG) in two dimensions by using Gutzwiller projected states as the initialization ansatz. When the Gutzwiller projected state is properly chosen, the notorious "local minimum" issue in DMRG can be circumvented and the precision of DMRG can be improved by orders of magnitude without extra computational cost. Moreover, this method allows to quantify the closeness of the initial Gutzwiller projected state and the final converged state after DMRG sweeps, thereby sheds light on whether the Gutzwiller ansatz captures the essential entanglement features of the actual ground state for a given Hamiltonian. The Kitaev honeycomb model has been exploited to demonstrate and benchmark this new method.

Effects of spin-phonon coupling in frustrated Heisenberg models

The existence and stability of spin-liquid phases represent a central topic in the field of frustrated magnetism. While a few examples of spin-liquid ground states are well established in specific models (e.g. the Kitaev model on the honeycomb lattice), recent investigations have suggested the possibility of their appearance in several Heisenberg-like models on frustrated lattices. An important related question concerns the stability of spin liquids in the presence of small perturbations in the Hamiltonian. In this respect, the magnetoelastic interaction between spins and phonons represents a relevant and physically motivated perturbation, which has been scarcely investigated so far. In this work, we study the effect of the spin-phonon coupling on prototypical models of frustrated magnetism. We adopt a variational framework based upon Gutzwiller-projected wave functions implemented with a spin-phonon Jastrow factor, providing a full quantum treatment of both spin and phonon degrees of freedom. The results on the frustrated $J_1-J_2$ Heisenberg model on one- and two-dimensional (square) lattices show that, while a valence-bond crystal is prone to lattice distortions, a gapless spin liquid is stable for small spin-phonon couplings. In view of the ubiquitous presence of lattice vibrations, our results are particularly important to demonstrate the possibility that gapless spin liquids may be realized in real materials.

Gapless spin liquid and valence-bond solid in the J1 - J2 Heisenberg model on the square lattice: Insights from singlet and triplet excitations

The spin-$1/2$ $J_1-J_2$ Heisenberg model on the square lattice represents one of the simplest examples in which the effets of magnetic interactions may suppress magnetic order, eventually leading to a pure quantum phase with no local order parameters. This model has been extensively studied in the last three decades, with conflicting results. Here, by using Gutzwiller-projected wave functions and recently developed methods to assess the low-energy spectrum, we show the existence of a level crossing between the lowest-energy triplet and singlet excitations for $J_2/J_1 \approx 0.54$. This fact supports the existence of a phase transition between a gapless spin liquid (which is stable for $0.48 \lesssim J_2/J_1 \lesssim 0.54$) and a valence-bond solid (for $0.54 \lesssim J_2/J_1 \lesssim 0.6$), even though no clear sign of dimer order is visible in the correlations functions. These results, which confirm recent density-matrix renormalization calculations on cylindrical clusters [L. Wang and A.W. Sandvik, Phys. Rev. Lett. 121, 107202 (2018)] reconcile the contraddicting results obtained within different approaches over the years.

Neural Gutzwiller-projected variational wave functions

Variational wave functions have enabled exceptional scientific breakthroughs related to the understanding of novel phases of matter. Examples include the Bardeen-Cooper-Schrieffer theory of superconductivity, the description of the fractional quantum Hall effect through the Laughlin state, and Feynman's variational understanding of large-scale quantum effects in liquid Helium. More recently, Gutzwiller-projected wave functions, typically constructed from fermionic degrees of freedom, have been employed to examine quantum spin models in the presence of competing interactions, where exotic phases with no spontaneous symmetry breaking and fractional excitations may exist. In this work, we investigate the aforementioned fermionic wave functions supplemented with neural networks, specifically with the so-called restricted Boltzmann machine (RBM), to boost their accuracy and obtain reliable approximations to the ground state of generic spin models. In particular, we apply our neural augmented fermionic construction to the description of both magnetically ordered and disordered phases of increasing complexity, including cases where the ground state displays a non-trivial sign structure. Even though the RBM state is by far more effective for N\'eel states endowed with a particularly simple sign structure, it provides a significant improvement over the original fermionic state in highly frustrated regimes where a complex sign structure is anticipated, thus marking the path to an understanding of strongly-correlated spin models on the lattice via neural Gutzwiller-projected variational wave functions.

Plaquette order in the SU(6) Heisenberg model on the honeycomb lattice

We revisit the SU(6) Heisenberg model on the honeycomb lattice, which has been predicted to be a chiral spin liquid by mean-field theory [G. Szirmai et al., Phys. Rev. A 84, 011611 (2011)]. Using exact diagonalizations of finite clusters, infinite projected entangled pair states simulations, and variational Monte Carlo simulations based on Gutzwiller projected wave functions, we provide strong evidence in favour of the competing plaquette state, which was reported to be higher but close by in energy according to mean-field theory. This is further confirmed by the investigation of the model with a ring exchange term, which shows that there is a transition between the plaquette state and the chiral state at a finite value of the ring exchange term.

Nature of chiral spin liquids on the kagome lattice

We investigate the stability and the nature of the chiral spin liquids which were recently uncovered in extended Heisenberg models on the kagome lattice. Using a Gutzwiller projected wave function approach -- i.e. a parton construction -- we obtain large overlaps with ground states of these extended Heisenberg models. We further suggest that the appearance of the chiral spin liquid in the time-reversal invariant case is linked to a classical transition line between two magnetically ordered phases.

U(1)×U(1)symmetry-protected topological order in Gutzwiller wave functions

Gutzwiller projection is a way to construct many-body wave functions that could carry topological order or symmetry protected topological (SPT) order. However, an important issue is to determine whether or not a given Gutzwiller-projected wave functions (GWF) carries a non-trivial SPT order, and which SPT order is carried by the wavefunction. In this paper, we numerically study the SPT order in a spin $S = 1$ GWF on the Kagome lattice. Using the standard Monte Carlo method, we directly confirm that the GWF has (1) gapped bulk with short-range correlations, (2) a trivial topological order via nondegenerate ground state, and zero topological entanglement entropy, (3) a non-trivial $U(1)\times U(1)$ SPT order via the Hall conductances of the protecting $U(1)\times U(1)$ symmetry, and (4) symmetry protected gapless boundary. This represents numerical evidence of continuous symmetry protected topological order in two-dimensional bosonic lattice systems.

Identifying non-Abelian topological ordered state and transition by momentum polarization

Using a method called momentum polarization, we study the quasiparticle topological spin and edge-state chiral central charge of non-Abelian topological ordered states described by Gutzwiller-projected wave functions. Our results verify that the fractional Chern insulator state obtained by Gutzwiller projection of two partons in bands of Chern number 2 is described by $SU(2)_2$ Chern-Simons theory coupled to fermions, rather than the pure $SU(2)_2$ Chern-Simons theory. In addition, by introducing an adiabatic deformation between one Chern number 2 band and two Chern number 1 bands, we show that the topological order in the Gutzwiller-projected state does not always agree with the expectation of topological field theory. Even if the parton mean-field state is adiabatically deformed, the Gutzwiller projection can introduce a topological phase transition between Abelian and non-Abelian topologically ordered states. Our approach applies to more general topologically ordered states described by Gutzwiller-projected wave functions.

Gutzwiller-projected wave functions for the pseudogap state of underdoped high-temperature superconductors

Recent experiments strongly suggest that a Fermi surface reconstruction and multiple Fermi pockets are important common features of the underdoped high-temperature cuprate superconductors. A related theoretical work [Phys. Rev. B 79, 134512 (2009)] has demonstrated that a number of hallmark phenomena observed in the underdoped cuprates appear naturally in the scenario of a paired electron pocket co-existing with unpaired hole pockets. We propose Gutzwiller-projected wave-functions to describe this two-fluid state as well as two competing states in its vicinity. It is argued that a pseudogap state constructed from these wave-functions may be selected by energetics at finite temperatures due to spin fluctuations.

Competing quantum paramagnetic ground states of the Heisenberg antiferromagnet on the star lattice

We investigate various competing paramagnetic ground states of the Heisenberg antiferromagnet on the two dimensional star lattice which exhibits geometric frustration. Using slave particle mean field theory combined with a projective symmetry group analysis, we examine a variety of candidate spin liquid states on this lattice, including chiral spin liquids, spin liquids with Fermi surfaces of spinons, and nematic spin liquids which break lattice rotational symmetry. Motivated by connection to large-N SU(N) theory as well as numerical exact diagonalization studies, we also examine various valence bond solid (VBS) states on this lattice. Based on a study of energetics using Gutzwiller projected states, we find that a fully gapped spin liquid state is the lowest energy spin liquid candidate for this model. We also find, from a study of energetics using Gutzwiller projected wave functions and bond operator approaches, that this spin liquid is unstable towards two different VBS states -- a VBS state which respects all the Hamitonian symmetries and a VBS state which exhibits $\sqrt{3}\times\sqrt{3}$ order -- depending on the ratio of the Heisenberg exchange couplings on the two inequivalent bonds of the lattice. We compute the triplon dispersion in both VBS states within the bond operator approach and discuss possible implications of our work for future experiments on candidate materials.

Stability of a fully magnetized ferromagnetic state in repulsively interacting ultracold Fermi gases

We construct a variational wave function to study whether a fully polarized Fermi sea is energetically stable against a single spin flip. Our variational wave function contains sufficient short-range correlation at least to the same level as Gutzwiller's projected wave function. For Hubbard lattice model and continuum model with pure repulsive interaction, we show a fully polarized Fermi sea is generally unstable even when the repulsive strength becomes infinite. While for a resonance model, ferromagnetic state is possible if the s-wave scattering length is positive and sufficiently large, and the system is prepared in scattering state orthogonal to molecular bound state. However, we can not rule out the possibility that more exotic correlation can destabilize the ferromagnetic state.

Ferromagnetism and orbital order in the two-orbital Hubbard model

We investigate spin and orbital states of the two-orbital Hubbard model on a square lattice by using a variational Monte Carlo method at quarter-filling, i.e., the electron number per site is one. As a variational wave function, we consider a Gutzwiller projected wave function of a mean-field type wave function for a staggered spin and/or orbital ordered state. Then, we evaluate expectation value of energy for the variational wave functions by using the Monte Carlo method and determine the ground state. In the strong Coulomb interaction region, the ground state is the perfect ferromagnetic state with antiferro-orbital (AF-orbital) order. By decreasing the interaction, we find that the disordered state becomes the ground state. Although we have also considered the paramagnetic state with AF-orbital order, i.e., purely orbital ordered state, and partial ferromagnetic states with and without AF-orbital order, they do not become the ground state.

Variational Monte Carlo study of ferromagnetism in the two-orbital Hubbard model on a square lattice

To understand the effects of orbital degeneracy on magnetism, in particular the effects of Hund's rule coupling, we study the two-orbital Hubbard model on a square lattice by a variational Monte Carlo method. As a variational wave function, we consider a Gutzwiller-projected wave function for a staggered spin- and/or orbital-ordered state. We find a ferromagnetic phase with staggered orbital order around quarter filling, i.e., electron number $n=1$ per site, and an antiferromagnetic phase without orbital order around half filling $n=2$. In addition, we find that another ferromagnetic phase without orbital order is realized in a wide filling region for large Hund's rule coupling. These two ferromagnetic states are metallic except for quarter filling. We show that orbital degeneracy and strong correlation effects stabilize the ferromagnetic states.

Weak Ferromagnetic Exchange and Anomalous Specific Heat inZnCu3(OH)6Cl2

Experimental evidence for a plethora of low energy spin excitations in the spin-1/2 kagome antiferromagnet ZnCu3(OH)6Cl2 may be understandable in terms of an extended Fermi surface of spinons coupled to a U(1) gauge field. We carry out variational calculations to examine the possibility that such a state may be energetically viable. A Gutzwiller-projected wave function reproduces the dimerization of a kagome strip found previously by the density matrix renormalization group. Application to the full kagome lattice shows that the inclusion of a small ferromagnetic next-nearest-neighbor interaction favors a ground state with a spinon Fermi surface.

Properties of an algebraic spin liquid on the kagome lattice

In recent work, we argued that a particular algebraic spin liquid (ASL) may be the ground state of the $S=1/2$ kagome lattice Heisenberg antiferromagnet. Furthermore, this state, which lacks a spin gap, is appealing in light of recent experiments on herbertsmithite $[{\text{ZnCu}}_{3}{(\text{OH})}_{6}{\text{Cl}}_{2}]$. Here, we study the properties of this ASL in more detail using both the low-energy effective field theory and Gutzwiller-projected wave functions of fermionic spinons. We identify the competing orders of the ASL, which are observables having slowly decaying power-law correlations---among them we find a set of magnetic orders lying at the $M$ points of the Brillouin zone, the familiar $\mathbit{q}=0$ magnetic ordered state, the ``Hastings'' valence-bond solid (VBS) state, and a pattern of vector spin-chirality ordering corresponding to one of the Dzyaloshinskii--Moriya (DM) interaction terms present in herbertsmithite. Identification of some of these orders requires an understanding of the quantum numbers of magnetic monopole operators in the ASL. We discuss the detection of the magnetic and VBS competing orders in experiments. While we primarily focus on a clean system without DM interaction, we consider the effects of small DM interaction and argue that, surprisingly, it leads to spontaneously broken time-reversal symmetry (for DM interaction that preserves $XY$ spin rotation symmetry, there is also $XY$ magnetic order). Our analysis of the projected wave function provides an estimate of the ``Fermi velocity'' ${v}_{F}$ that characterizes all low-energy excitations of the ASL---this allows us to estimate the specific heat, which compares favorably with experiments. We also study the spin and bond correlations of the projected wave function and compare these results with those of the effective field theory. While the spin correlations in the effective field theory and wave function seem to match rather well (although not completely), the bond correlations are more puzzling. We conclude with a discussion of experiments in herbertsmithite and make several predictions.

Gutzwiller–RVB theory of high-temperature superconductivity: Results from renormalized mean-field theory and variational Monte Carlo calculations

We review the resonating valence bond (RVB) theory of high-temperature superconductivity using Gutzwiller projected wave functions that incorporate strong correlations. After a general overview of the phenomenon of high-temperature superconductivity, we discuss Anderson's RVB picture and its implementation by renormalized mean-field theory (RMFT) and variational Monte Carlo (VMC) techniques. We review RMFT and VMC results with an emphasis on recent developments in extending VMC and RMFT techniques to excited states. We compare results obtained from these methods with angle-resolved photoemission spectroscopy (ARPES) and scanning tunnelling microscopy (STM). We conclude by summarizing recent successes of this approach and discuss open problems that need to be solved for a consistent and complete description of high-temperature superconductivity using Gutzwiller projected wave functions.

Quasiparticle spectral weights of Gutzwiller-projected high-Tcsuperconductors

We analyze the electronic Green's functions in the superconducting ground state of the t-J model using Gutzwiller-projected wave functions, and compare them to the conventional BCS form. Some of the properties of the BCS state are preserved by the projection: the total spectral weight is continuous around the quasiparticle node and approximately constant along the Fermi surface. On the other hand, the overall spectral weight is reduced by the projection with a momentum-dependent renormalization, and the projection produces electron-hole asymmetry in renormalization of the electron and hole spectral weights. The latter asymmetry leads to the bending of the effective Fermi surface which we define as the locus of equal electron and hole spectral weight.

Effective quantum variational Monte Carlo study of Hubbard model

It is important to understand the physics of correlated itinerant electron systems characterized by the on-site Coulomb repulsion U . The two-dimensional Hubbard model is one of the simplest models for the description of such correlated systems. The Gutzwiller-projected wave function has been improved by considering effective electron correlation or long-range Jastrow-type correlation. Elaborate extra correlation operators optimize the electron correlation and lower the ground-state energy considerably. The kinetic operator effectively optimizes the Gutzwiller function: ψ λ = e - λ K P G ψ 0 , where K is the kinetic energy term of the Hubbard Hamiltonian and P G is the Gutzwiller operator. The Gutzwiller–Jastrow function is also an well optimized wave function. We have developed a quantum Monte Carlo optimization method for many fermion systems as an intensive extension of effective variational wave function ψ λ . We employ the Hubbard–Stratonovich method to decompose the interactions in terms of auxiliary fields and we use this in an expansion of the true ground-state wave function. The ground-state wave function is written as a linear combination of the basis states for which we diagonalize the Hamiltonian to obtain the lowest energy state.

Bond-order-modulated staggered-flux phase of thetJmodel on a square lattice

Motivated by the observation of inhomogeneous patterns in some high-${T}_{c}$ cuprate compounds, several variational Gutzwiller-projected wave functions with built-in charge and bond-order parameters are proposed for the extended $t\text{\ensuremath{-}}J\text{\ensuremath{-}}V$ model on the square lattice at low doping. First, following a recent Gutzwiller-projected mean-field approach by one of us [D. Poilblanc, Phys. Rev. B 72, 060508(R) (2005)], we investigate, as a function of doping and Coulomb repulsion the relative stability of a wide variety of modulated structures with square unit cells of size $2\ifmmode\times\else\texttimes\fi{}2$, $\sqrt{8}\ifmmode\times\else\texttimes\fi{}\sqrt{8}$, $4\ifmmode\times\else\texttimes\fi{}4$, and $\sqrt{32}\ifmmode\times\else\texttimes\fi{}\sqrt{32}$. It is found that the $4\ifmmode\times\else\texttimes\fi{}4$ bond-order wave function with staggered-flux pattern (and small charge and spin current density wave) is a remarkable competitive candidate for hole doping around $1∕8$ in agreement with scanning tunneling microscopy observations in the underdoped regime of some cuprates. This wave function is then optimized accurately and its properties studied extensively using a variational Monte Carlo scheme. Moreover, we find that under increasing the Coulomb repulsion, the $d$-wave superconducting RVB wave function is rapidly destabilized with respect to the $4\ifmmode\times\else\texttimes\fi{}4$ bond-order wave function. The stability of the bond-modulated wave function is connected to a gain of Coulomb and exchange energies. We suggest that such ordering patterns could be dynamical or could spontaneously appear in the vicinity of an impurity or a vortex in the mixed phase of the cuprates. Finally, we consider also a commensurate flux phase, but this wave function turns out not to be competitive because of its rather poor kinetic energy. However, we find it has very competitive exchange and Coulomb energies.