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Motivated by the recent experimental study on a quantum Ising magnet $\text{K}_2\text{Co}(\text{SeO}_3)_2$ where spectroscopic evidence of zero-field supersolidity was presented [arXiv: 2402.15869], we simulate the excitation spectrum of the corresponding microscopic $XXZ$ model for the compound, using the recently developed excitation ansatz of infinite projected entangled-pair states (iPEPS). We map out the ground state phase diagram and compute the dynamical spin structure factors across a range of magnetic field strengths, focusing especially on the two supersolid phases found near zero and saturation fields. Our simulated excitation spectra for the zero-field supersolid "Y" phase are in excellent agreement with the experimental data - recovering the low-energy branches and integer quantized excited energy levels $\omega_n=nJ_{zz}$. Furthermore, we demonstrate the nonlocal multi-spin-flip features for modes at $\omega_2$, indicative of their multi-magnon nature. Additionally, we identify characteristics of the high-field supersolid "$\Psi$" phase in the simulated spectra, to be compared with future experimental results., Comment: 5 pages, 4 figures. New results added

Numerical treatment of two dimensional strongly-correlated systems is both extremely challenging and of fundamental importance. Infinite projected entangled-pair states (PEPS), a class of tensor networks, have demonstrated cutting-edge performance for ground state calculations, working directly in the thermodynamic limit. Furthermore, in recent years the application of PEPS has been extended to also low-lying excited states, using an ansatz that targets quasiparticle states above the ground state with high accuracy. A major technical challenge for those simulations is the accurate evaluation of summations of two- and three-point correlation functions with reasonable computational cost. In this work, we show how a reformulation of $n$-point functions in the context of PEPS leads to extra contributions to the results that prove to play an important role. Benchmarks for the frustrated $J_1-J_2$ Heisenberg model illustrate the improved precision, efficiency and stability of the simulations compared to previous approaches. Leveraging automatic differentiation to generate the most tedious and error-prone parts of the computation, the straightforward implementation presented here is a step towards broader adoption of the PEPS excitation ansatz in future applications., Comment: 12 pages, 5 figures

We study the ground state properties of the hole-doped three-band Hubbard (Emery) model, describing the copper-oxygen planes of the cuprates, using large-scale 2D tensor network calculations. Our simulations reveal a period 4 stripe state with spin and weak charge order over an extended doping range beyond $\delta\sim0.12$ and stripes with larger periods at smaller doping. The period 4 stripe exhibits coexisting $d$-wave superconductivity in the doping range $0.15 \lesssim \delta < 0.25$, while at smaller doping around $\delta \sim 1/8$ we find a strong competition between superconducting and non-superconducting stripes, including also pair density-wave states with alternating sign structure on neighboring stripes, suggesting that the fate of superconductivity around 1/8 doping may be sensitive on the model parameters., Comment: 9 pages, 8 figures

The interplay between Kondo screening, indirect magnetic interaction and geometrical frustration is studied in the two-dimensional Kondo-necklace model on the triangular lattice. Using infinite projected entangled pair states (iPEPS), we compute the ground state as a function of the antiferromagnetic local Kondo interaction $J_K$ and the Ising-type direct spin-spin interaction $I_z$ . As opposed to previous studies, we do not find partial Kondo screening (PKS) in the isotropic limit $I_z = 0$ but the same behavior as in the unfrustrated case, i.e. a direct phase transition between the paradigmatic phases of the Doniach competition: (i) a disordered phase consisting of local spin-singlets at strong $J_K$ and (ii) a magnetically ordered phase at weak $J_K$ . For $I_z > 0$, we find a PKS ground state but again in opposite to previous studies, we find that the PKS ground state is in strong competition with a second ground state candidate not found before. This state is characterized by a strongly polarized central spin in each hexagon and its anti-parallel, weakly polarized (i.e. partially screened) neighbors. We name it central spin (CS) phase., Comment: 12 pages, 12 figures

The norms or expectation values of infinite projected entangled-pair states (PEPS) cannot be computed exactly, and approximation algorithms have to be applied. In the last years, many efficient algorithms have been devised -- the corner transfer matrix renormalization group (CTMRG) and variational uniform matrix product state (VUMPS) algorithm are the most common -- but it remains unclear whether they always lead to the same results. In this paper, we identify a subclass of PEPS for which we can reformulate the contraction as a variational problem that is algorithm independent. We use this variational feature to assess and compare the accuracy of CTMRG and VUMPS contractions. Moreover, we devise a new variational contraction scheme, which we can extend to compute general N-point correlation functions.

The excitation ansatz for tensor networks is a powerful tool for simulating the low-lying quasiparticle excitations above ground states of strongly correlated quantum many-body systems. Recently, the two-dimensional tensor network class of infinite entangled pair states gained new ground state optimization methods based on automatic differentiation, which are at the same time highly accurate and simple to implement. Naturally, the question arises whether these new ideas can also be used to optimize the excitation ansatz, which has recently been implemented in two dimensions as well. In this paper, we describe a straightforward way to reimplement the framework for excitations using automatic differentiation, and demonstrate its performance for the Hubbard model at half filling., Comment: 26 pages, 5 figures

We present an extension of a framework for simulating single quasiparticle or collective excitations on top of strongly correlated quantum many-body ground states using infinite projected entangled pair states, a tensor network ansatz for two-dimensional wave functions in the thermodynamic limit. Our approach performs a systematic summation of locally perturbed states in order to obtain excited eigenstates localized in momentum space, using the corner transfer matrix method, and generalizes the framework to arbitrary unit cell sizes, the implementation of global Abelian symmetries and fermionic systems. Results for several test cases are presented, including the transverse Ising model, the spin-$\frac{1}{2}$ Heisenberg model and a free fermionic model, to demonstrate the capability of the method to accurately capture dispersions. We also provide insight into the nature of excitations at the $k=(\pi,0)$ point of the Heisenberg model., Comment: 13 pages, 10 figures

We study the competition between stripe states with different periods and a uniform $d$-wave superconducting state in the extended 2D Hubbard model at 1/8 hole doping using infinite projected entangled-pair states (iPEPS). With increasing strength of negative next-nearest neighbor hopping $t'$, the preferred period of the stripe decreases. For the values of $t'$ predicted for cuprate high-T$_c$ superconductors, we find stripes with a period 4 in the charge order, in agreement with experiments. Superconductivity in the period 4 stripe is suppressed at $1/8$ doping. Only at larger doping, $0.18 \lesssim \delta < 0.25$, the period 4 stripe exhibits coexisting $d$-wave superconducting order. The uniform $d$-wave state is only favored for sufficiently large positive $t'$., Comment: 8 pages, 5 figures