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_2J1−J2 Heisenberg antiferromagnet on the square lattice. By using advances in both optimization and subsequent data analysis, through finite correlation-length scaling, we report accurate estimations of the magnetization curve in the N'eel phase for J_2/J_1 \le 0.45J2/J1≤0.45. The unrestricted iPEPS simulations reveal an U(1)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 \approx 0.46(1)J2/J1≈0.46(1). The present methodology can be extended beyond this model to study generic order-to-disorder transitions in magnetic systems.
Thermal ripples of graphene are well understood at room temperature, but their quantum counterparts at low temperatures are in need of a realistic quantitative description. Here we present atomistic path-integral Monte Carlo simulations of freestanding graphene, which show upon cooling a striking classical-quantum evolution of height and angular fluctuations. The crossover takes place at ever-decreasing temperatures for ever-increasing wavelengths so that a completely quantum regime is never attained. Zero-temperature quantum graphene is flatter and smoother than classical graphene at large scales, yet rougher at short scales. The angular fluctuation distribution of the normals can be quantitatively described by coexistence of two Gaussians, one classical strongly T-dependent and one quantum about 2 • wide, of zero-point character. The quantum evolution of ripple-induced height and angular spread should be observable in electron diffraction in graphene and other two-dimensional materials, such as MoS2, bilayer graphene, boron nitride, etc.
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The infinite projected entangled pair states (iPEPS) technique [J. Jordan et al., Phys. Rev. Lett. 101, 250602 (2008)] has been widely used in the recent years to assess the properties of two-dimensional quantum systems, working directly in the thermodynamic limit. This formalism, which is based upon a tensor-network representation of the ground-state wave function, has several appealing features, e.g., encoding the so-called area law of entanglement entropy by construction; still, the method presents critical issues when dealing with the optimization of tensors, in order to find the best possible approximation to the exact ground state of a given Hamiltonian. Here, we discuss the obstacles that arise in the optimization by imaginary-time evolution within the so-called simple and full updates and connect them to the emergence of a sharp multiplet structure in the "virtual" indices of tensors. In this case, a generic choice of the bond dimension D is not compatible with the multiplets and leads to a symmetry breaking (e.g., generating a finite magnetic order). In addition, varying the initial guess, different final states may be reached, with considerably large deviations in the magnetization value. In order to exemplify this behavior, we show the results of the S = 1/2 Heisenberg model on an array of coupled ladders, for which a vanishing magnetization below the critical inter-ladder coupling is recovered only for selected values of D, while a blind optimization with a generic D gives rise to a finite magnetization down to the limit of decoupled ladders.
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