Contributor info: Dr Federico Becca

Francesco Ferrari, Sen Niu, Juraj Hasik, Yasir Iqbal, Didier Poilblanc, Federico Becca

SciPost Phys. 14, 139 (2023) · published 1 June 2023 | Toggle abstract · pdf

Motivated by recent experiments on Cs$_2$Cu$_3$SnF$_{12}$ and YCu$_{3}$(OH)$_{6}$Cl$_{3}$, we consider the ${S=1/2}$ Heisenberg model on the kagome lattice with nearest-neighbor super-exchange $J$ and (out-of-plane) Dzyaloshinskii-Moriya interaction $J_D$, which favors (in-plane) ${{\bf Q}=(0,0)}$ magnetic order. By using both variational Monte Carlo and tensor-network approaches, we show that the ground state develops a finite magnetization for $J_D/J \gtrsim 0.03 \mathrm{-} 0.04$; instead, for smaller values of the Dzyaloshinskii-Moriya interaction, the ground state has no magnetic order and, according to the fermionic wave function, develops a gap in the spinon spectrum, which vanishes for $J_D \to 0$. The small value of $J_D/J$ for the onset of magnetic order is particularly relevant for the interpretation of low-temperature behaviors of kagome antiferromagnets, including ZnCu$_{3}$(OH)$_{6}$Cl$_{2}$. For this reason, we assess the spin dynamical structure factor and the corresponding low-energy spectrum, by using the variational Monte Carlo technique. The existence of a continuum of excitations above the magnon modes is observed within the magnetically ordered phase, with a broad peak above the lowest-energy magnons, similarly to what has been detected by inelastic neutron scattering on Cs$_{2}$Cu$_{3}$SnF$_{12}$.

Vito Marino, Federico Becca, Luca F. Tocchio

SciPost Phys. 12, 180 (2022) · published 1 June 2022 | Toggle abstract · pdf

By using variational quantum Monte Carlo techniques, we investigate the instauration of stripes (i.e., charge and spin inhomogeneities) in the Hubbard model on the square lattice at hole doping $\delta=1/8$, with both nearest- ($t$) and next-nearest-neighbor hopping ($t^\prime$). Stripes with different wavelengths $\lambda$ (denoting the periodicity of the charge inhomogeneity) and character (bond- or site-centered) are stabilized for sufficiently large values of the electron-electron interaction $U/t$. The general trend is that $\lambda$ increases going from negative to positive values of $t^\prime/t$ and decreases by increasing $U/t$. In particular, the $\lambda=8$ stripe obtained for $t^\prime=0$ and $U/t=8$ [L.F. Tocchio, A. Montorsi, and F. Becca, SciPost Phys. 7, 21 (2019)] shrinks to $\lambda=6$ for $U/t\gtrsim 10$. For $t^\prime/t<0$, the stripe with $\lambda=5$ is found to be remarkably stable, while for $t^\prime/t>0$, stripes with wavelength $\lambda=12$ and $\lambda=16$ are also obtained. In all these cases, pair-pair correlations are highly suppressed with respect to the uniform state (obtained for large values of $|t^\prime/t|$), suggesting that striped states are not superconducting at $\delta=1/8$.

Luciano Loris Viteritti, Francesco Ferrari, Federico Becca

SciPost Phys. 12, 166 (2022) · published 19 May 2022 | Toggle abstract · pdf

Neural networks have been recently proposed as variational wave functions for quantum many-body systems [G. Carleo and M. Troyer, Science 355, 602 (2017)]. In this work, we focus on a specific architecture, known as Restricted Boltzmann Machine (RBM), and analyse its accuracy for the spin-1/2 $J_1-J_2$ antiferromagnetic Heisenberg model in one spatial dimension. The ground state of this model has a non-trivial sign structure, especially for $J_2/J_1>0.5$, forcing us to work with complex-valued RBMs. Two variational Ans\"atze are discussed: one defined through a fully complex RBM, and one in which two different real-valued networks are used to approximate modulus and phase of the wave function. In both cases, translational invariance is imposed by considering linear combinations of RBMs, giving access also to the lowest-energy excitations at fixed momentum $k$. We perform a systematic study on small clusters to evaluate the accuracy of these wave functions in comparison to exact results, providing evidence for the supremacy of the fully complex RBM. Our calculations show that this kind of Ans\"atze is very flexible and describes both gapless and gapped ground states, also capturing the incommensurate spin-spin correlations and low-energy spectrum for $J_2/J_1>0.5$. The RBM results are also compared to the ones obtained with Gutzwiller-projected fermionic states, often employed to describe quantum spin models [F. Ferrari, A. Parola, S. Sorella and F. Becca, Phys. Rev. B 97, 235103 (2018)]. Contrary to the latter class of variational states, the fully-connected structure of RBMs hampers the transferability of the wave function from small to large clusters, implying an increase of the computational cost with the system size.

Juraj Hasik, Didier Poilblanc, Federico Becca

SciPost Phys. 10, 012 (2021) · published 20 January 2021 | Toggle abstract · pdf

The recent progress in the optimization of two-dimensional tensor networks [H.-J. Liao, J.-G. Liu, L. Wang, and T. Xiang, Phys. Rev. X 9, 031041 (2019)] based on automatic differentiation opened the way towards precise and fast optimization of such states and, in particular, infinite projected entangled-pair states (iPEPS) that constitute a generic-purpose Ansatz for lattice problems governed by local Hamiltonians. In this work, we perform an extensive study of a paradigmatic model of frustrated magnetism, the J 1 − J 2 Heisenberg an- tiferromagnet on the square lattice. By using advances in both optimization and subsequent data analysis, through finite correlation-length scaling, we re- port accurate estimations of the magnetization curve in the Néel phase for J 2 /J 1 ≤ 0.45. The unrestricted iPEPS simulations reveal an U (1) symmetric structure, which we identify and impose on tensors, resulting in a clean and consistent picture of antiferromagnetic order vanishing at the phase transition with a quantum paramagnet at J 2 /J 1 ≈ 0.46(1). The present methodology can be extended beyond this model to study generic order-to-disorder transitions in magnetic systems.

Luca F. Tocchio, Arianna Montorsi, Federico Becca

SciPost Phys. 7, 021 (2019) · published 12 August 2019 | Toggle abstract · pdf

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 $2\lambda=16$ 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.

Luca F. Tocchio, Federico Becca, Arianna Montorsi

SciPost Phys. 6, 018 (2019) · published 5 February 2019 | Toggle abstract · pdf

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.