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.

The Hubbard model on triangular $N$-leg cylinders: chiral and non-chiral spin liquids

The existence of a gapped chiral spin liquid has been recently suggested in the vicinity of the metal-insulator transition of the Hubbard model on the triangular lattice, by intensive density-matrix renormalization group (DMRG) simulations [A. Szasz, J. Motruk, M.P. Zaletel, and J.E. Moore, Phys. Rev. X ${bf 10}$, 021042 (2020)]. Here, we report the results obtained within the variational Monte Carlo technique based upon Jastrow-Slater wave functions, implemented with backflow correlations. As in DMRG calculations, we consider $N$-leg cylinders. In highly-frustrated cases, i.e., in the presence of a next-nearest neighbor hopping with $N=4$, a chiral spin liquid emerges between the metal and the insulator with magnetic quasi-long-range order. Within our approach, the chiral state is gapped and breaks the reflection symmetry. By contrast, for the less frustrated case with $N=6$, the chiral spin liquid is not the state with the lowest variational energy and the results are very similar to the one obtained on two-dimensional clusters [L.F. Tocchio, A. Montorsi, and F. Becca, Phys. Rev. B ${bf 102}$, 115150 (2020)].

Gapless spin liquids in disguise

We show that gapless spin liquids, which are potential candidates to describe the ground state of frustrated Heisenberg models in two dimensions, become trivial insulators on cylindrical geometries with an even number of legs. In particular, we report calculations for Gutzwiller-projected fermionic states on strips of square and kagome lattices. By choosing different boundary conditions for the fermionic degrees of freedom, both gapless and gapped states may be realized, the latter ones having a lower variational energy. The direct evaluation of static and dynamical correlation functions, as well as overlaps between different states, allows us to demonstrate the sharp difference between the ground-state properties obtained within cylinders or directly in the two-dimensional lattice. Our results shed light on the difficulty to detect bona fide gapless spin liquids in such cylindrical geometries.

Magnetic and spin-liquid phases in the frustrated $t-t^prime$ Hubbard model on the triangular lattice

The Hubbard model and its strong-coupling version, the Heisenberg one, have been widely studied on the triangular lattice to capture the essential low-temperature properties of different materials. One example is given by transition metal dichalcogenides, as 1T$-$TaS$_2$, where a large unit cell with $13$ Ta atom forms weakly-coupled layers with an isotropic triangular lattice. By using accurate variational Monte Carlo calculations, we report the phase diagram of the $t-t^prime$ Hubbard model on the triangular lattice, highlighting the differences between positive and negative values of $t^prime/t$; this result can be captured only by including the charge fluctuations that are always present for a finite electron-electron repulsion. Two spin-liquid regions are detected: one for $t^prime/t<0$, which persists down to intermediate values of the electron-electron repulsion, and a narrower one for $t^prime/t>0$. The spin-liquid phase appears to be gapless, though the variational wave function has a nematic character, in contrast to the Heisenberg limit. We do not find any evidence for non-magnetic Mott phases in the proximity of the metal-insulator transition, at variance with the predictions (mainly based upon strong-coupling expansions in $t/U$) that suggest the existence of a weak-Mott phase that intrudes between the metal and the magnetically ordered insulator.

Metallic and insulating stripes and their relation with superconductivity in the doped Hubbard model

The dualism between superconductivity and charge/spin modulations (the so-called stripes) dominates the phase diagram of many strongly-correlated systems. A prominent example is given by the Hubbard model, where these phases compete and possibly coexist in a wide regime of electron dopings for both weak and strong couplings. Here, we investigate this antagonism within a variational approach that is based upon Jastrow-Slater wave functions, including backflow correlations, which can be treated within a quantum Monte Carlo procedure. We focus on clusters having a ladder geometry with $M$ legs (with $M$ ranging from $2$ to $10$) and a relatively large number of rungs, thus allowing us a detailed analysis in terms of the stripe length. We find that stripe order with periodicity $lambda=8$ in the charge and $2lambda=16$ in the spin can be stabilized at doping $delta=1/8$. Here, there are no sizable superconducting correlations and the ground state has an insulating character. A similar situation, with $lambda=6$, appears at $delta=1/6$. Instead, for smaller values of dopings, stripes can be still stabilized, but they are weakly metallic at $delta=1/12$ and metallic with strong superconducting correlations at $delta=1/10$, as well as for intermediate (incommensurate) dopings. Remarkably, we observe that spin modulation plays a major role in stripe formation, since it is crucial to obtain a stable striped state upon optimization. The relevance of our calculations for previous density-matrix renormalization group results and for the two-dimensional case is also discussed.

Superconductivity in the Hubbard model: a hidden-order diagnostics from the Luther-Emery phase on ladders

Short-range antiferromagnetic correlations are known to open a spin gap in the repulsive Hubbard model on ladders with $M$ legs, when $M$ is even. We show that the spin gap originates from the formation of correlated pairs of electrons with opposite spin, captured by the hidden ordering of a spin-parity operator. Since both spin gap and parity vanish in the two-dimensional limit, we introduce the fractional generalization of spin parity and prove that it remains finite in the thermodynamic limit. Our results are based upon variational wave functions and Monte Carlo calculations: performing a finite size-scaling analysis with growing $M$, we show that the doping region where the parity is finite coincides with the range in which superconductivity is observed in two spatial dimensions. Our observations support the idea that superconductivity emerges out of spin gapped phases on ladders, driven by a spin-pairing mechanism, in which the ordering is conveniently captured by the finiteness of the fractional spin-parity operator.

Spectral signatures of fractionalization in the frustrated Heisenberg model on the square lattice

We employ a variational Monte Carlo approach to efficiently obtain the dynamical structure factor for the spin-1/2 $J_1-J_2$ Heisenberg model on the square lattice. Upon increasing the frustrating ratio $J_2/J_1$, the ground state undergoes a continuous transition from a Neel antiferromagnet to a $mathbb{Z}_{2}$ gapless spin liquid. We identify the characteristic spectral features in both phases and highlight the existence of a broad continuum of excitations in the proximity of the spin-liquid phase. The magnon branch, which dominates the spectrum of the unfrustrated Heisenberg model, gradually loses its spectral weight, thus releasing nearly-deconfined spinons, whose signatures are visible even in the magnetically ordered state. Our results show how free spinons emerge across a quantum critical point, providing evidence for the fractionalization of magnons into deconfined spinons.

Metal-insulator transitions, superconductivity, and magnetism in the two-band Hubbard model

We explore the ground-state properties of the two-band Hubbard model with degenerate electronic bands, parametrized by nearest-neighbor hopping $t$, intra- and inter-orbital on-site Coulomb repulsions $U$ and $U^prime$, and Hund coupling $J$, focusing on the case with $J>0$. Using Jastrow-Slater wave functions, we consider both states with and without magnetic/orbital order. Electron pairing can also be included in the wave function, in order to detect the occurrence of superconductivity for generic electron densities $n$. When no magnetic/orbital order is considered, the Mott transition is continuous for $n=1$ (quarter filling); instead, at $n=2$ (half filling), it is first order for small values of $J/U$, while it turns out to be continuous when the ratio $J/U$ is increased. A significant triplet pairing is present in a broad region around $n=2$. By contrast, singlet superconductivity (with $d$-wave symmetry) is detected only for small values of the Hund coupling and very close to half filling. When including magnetic and orbital order, the Mott insulator acquires antiferromagnetic order for $n=2$; instead, for $n=1$ the insulator has ferromagnetic and antiferro-orbital orders. In the latter case, a metallic phase is present for small values of $U/t$ and the metal-insulator transition becomes first order. In the region with $1<n<2$, we observe that ferromagnetism (with no orbital order) is particularly robust for large values of the Coulomb repulsion and that triplet superconductivity is strongly suppressed by the presence of antiferromagnetism. The case with $J=0$, which has an enlarged SU(4) symmetry due to the interplay between spin and orbital degrees of freedom, is also analyzed.

Competition between spin liquids and valence-bond order in the frustrated spin-$1/2$ Heisenberg model on the honeycomb lattice

Using variational wave functions and Monte Carlo techniques, we study the antiferromagnetic Heisenberg model with first-neighbor $J_1$ and second-neighbor $J_2$ antiferromagnetic couplings on the honeycomb lattice. We perform a systematic comparison of magnetically ordered and nonmagnetic states (spin liquids and valence-bond solids) to obtain the ground-state phase diagram. Neel order is stabilized for small values of the frustrating second-neighbor coupling. Increasing the ratio $J_2/J_1$, we find strong evidence for a continuous transition to a nonmagnetic phase at $J_2/J_1 approx 0.23$. Close to the transition point, the Gutzwiller-projected uniform resonating valence bond state gives an excellent approximation to the exact ground-state energy. For $0.23 lesssim J_2/J_1 lesssim 0.4$, a gapless $Z_2$ spin liquid with Dirac nodes competes with a plaquette valence-bond solid. In contrast, the gapped spin liquid considered in previous works has significantly higher variational energy. Although the plaquette valence-bond order is expected to be present as soon as the Neel order melts, this ordered state becomes clearly favored only for $J_2/J_1 gtrsim 0.3$. Finally, for $0.36 lesssim J_2/J_1 le 0.5$, a valence-bond solid with columnar order takes over as the ground state, being also lower in energy than the magnetic state with collinear order. We perform a detailed finite-size scaling and standard data collapse analysis, and we discuss the possibility of a deconfined quantum critical point separating the Neel antiferromagnet from the plaquette valence-bond solid.

Non local parity order in the two-dimensional Mott insulator

The Mott insulator is characterized by having small deviations around the (integer) average particle density n, with pairs with n-1 and n+1 particles forming bound states. In one dimension, the effect is captured by a non-zero value of a non-local string of parities, which instead vanishes in the superfluid phase where density fluctuations are large. Here, we investigate the interaction induced transition from the superfluid to the Mott insulator, in the paradigmatic Bose Hubbard model at n=1. By means of quantum Monte Carlo simulations and finite size scaling analysis on LxM ladders, we explore the behavior of brane parity operators for L going to infinity from one dimension (i.e., M=1) to two dimensions (i.e., M going to infinity). We confirm the conjecture that, adopting a standard definition, their average value decays to zero in two dimensions also in the insulating phase, evaluating the scaling factor of the perimeter law [S.P. Rath et al., Ann. Phys. (N.Y.) 334, 256 (2013)]. Upon introducing a further phase in the brane parity, we show that its expectation value becomes non-zero in the insulator, while still vanishing at the transition to the superfluid phase. These quantities are directly accessible to experimental measures, thus providing an insightful signature of the Mott insulator.