Publications

Order by: publication date number of citations

• Formation of CuO$_2$ sublattices by suppression of interlattice correlations in tetragonal CuO

  Max Bramberger, Benjamin Bacq-Labreuil, Martin Grundner, Silke Biermann, Ulrich Schollwöck, Sebastian Paeckel, Benjamin Lenz

  SciPost Phys. 14, 010 (2023) · published 31 January 2023 | Toggle abstract · pdf

  We investigate the tetragonal phase of the binary transition metal oxide CuO (t-CuO) within the context of cellular dynamical mean-field theory. Due to its strong antiferromagnetic correlations and simple structure, analysing the physics of t-CuO is of high interest as it may pave the way towards a more complete understanding of high-temperature superconductivity in hole-doped antiferromagnets. In this work we give a formal justification for the weak-coupling assumption that has previously been made for the interconnected sublattices within a single layer of t-CuO by studying the non-local self-energies of the system. We compute momentum-resolved spectral functions using a Matrix Product State (MPS)-based impurity solver directly on the real axis, which does not require any numerically ill-conditioned analytic continuation. The agreement with photoemission spectroscopy indicates that a single-band Hubbard model is sufficient to capture the material's low energy physics. We perform calculations on a range of different temperatures, finding two magnetic regimes, for which we identify the driving mechanism behind their respective insulating state. Finally, we show that in the hole-doped regime the sublattice structure of t-CuO has interesting consequences on the symmetry of the superconducting state.

  2 citations

• A comprehensive study of the velocity, momentum and position matrix elements for Bloch states: Application to a local orbital basis

  Juan José Esteve-Paredes, Juan José Palacios

  SciPost Phys. Core 6, 002 (2023) · published 20 January 2023 | Toggle abstract · pdf

  We present a comprehensive study of the velocity operator, $\hat{\boldsymbol{v}}=\frac{i}{\hbar} [\hat{H},\hat{\boldsymbol{r}}]\,$, when used in crystalline solids calculations. The velocity operator is key to the evaluation of a number of physical properties and its computation, both from a practical and fundamental perspective, has been a long-standing debate for decades. Our work summarizes the different approaches found in the literature, but never connected before in a comprehensive manner. In particular we show how one can compute the velocity matrix elements following two different routes. One where the commutator is explicitly used and another one where the commutator is avoided by relying on the Berry connection. We work out an expression in the latter scheme to compute velocity matrix elements, generalizing previous results. In addition, we show how this procedure avoids ambiguous mathematical steps and how to properly deal with the two popular gauge choices that coexist in the literature. As an illustration of all this, we present several examples using tight-binding models and local density functional theory calculations, in particular using Gaussian-type localized orbitals as basis sets. We show how the the velocity operator cannot be approximated, in general, by the $k$-gradient of the Bloch Hamiltonian matrix when a non-orthonormal basis set is used. Finally, we also compare with its real-space evaluation through the identification with the canonical momentum operator when possible. This comparison offers us, in addition, a glimpse of the importance of non-local corrections, which may invalidate the naive momentum-velocity correspondence.

  5 citations

• Unsupervised and supervised learning of interacting topological phases from single-particle correlation functions

  Simone Tibaldi, Giuseppe Magnifico, Davide Vodola, Elisa Ercolessi

  SciPost Phys. 14, 005 (2023) · published 19 January 2023 | Toggle abstract · pdf

  The recent advances in machine learning algorithms have boosted the application of these techniques to the field of condensed matter physics, in order e.g. to classify the phases of matter at equilibrium or to predict the real-time dynamics of a large class of physical models. Typically in these works, a machine learning algorithm is trained and tested on data coming from the same physical model. Here we demonstrate that unsupervised and supervised machine learning techniques are able to predict phases of a non-exactly solvable model when trained on data of a solvable model. In particular, we employ a training set made by single-particle correlation functions of a non-interacting quantum wire and by using principal component analysis, k-means clustering, t-distributed stochastic neighbor embedding and convolutional neural networks we reconstruct the phase diagram of an interacting superconductor. We show that both the principal component analysis and the convolutional neural networks trained on the data of the non-interacting model can identify the topological phases of the interacting model. Our findings indicate that non-trivial phases of matter emerging from the presence of interactions can be identified by means of unsupervised and supervised techniques applied to data of non-interacting systems.

  13 citations

• Pauli crystal melting in shaken optical traps

  Jiabing Xiang, Paolo Molignini, Miriam Büttner, Axel U. J. Lode

  SciPost Phys. 14, 003 (2023) · published 13 January 2023 | Toggle abstract · pdf

  Pauli crystals are ordered geometric structures that emerge in trapped noninteracting fermionic systems due to their underlying Pauli repulsion. The deformation of Pauli crystals - often called melting - has been recently observed in experiments, but the mechanism that leads to it remains unclear. We address this question by studying the melting dynamics of $N=6$ fermions as a function of periodic driving and experimental imperfections in the trap (anisotropy and anharmonicity) by employing a combination of numerical simulations and Floquet theory. Surprisingly, we reveal that the melting of Pauli crystals is not simply a direct consequence of an increase in system energy, but is instead related to the trap geometry and the population of the Floquet modes. We show that the melting is absent in traps without imperfections and triggered only by a sufficiently large shaking amplitude in traps with imperfections.

  1 citation

• Emergent XY* transition driven by symmetry fractionalization and anyon condensation

  Michael Schuler, Louis-Paul Henry, Yuan-Ming Lu, Andreas M. Läuchli

  SciPost Phys. 14, 001 (2023) · published 11 January 2023 | Toggle abstract · pdf

  Anyons in a topologically ordered phase can carry fractional quantum numbers with respect to the symmetry group of the considered system, one example being the fractional charge of the quasiparticles and quasiholes in the fractional quantum Hall effect. When such symmetry-fractionalized anyons condense, the resulting phase must spontaneously break the symmetry and display a local order parameter. In this paper, we study the phase diagram and anyon condensation transitions of a $\mathbb{Z}_2$ topological order perturbed by Ising interactions in the Toric Code. The interplay between the global (``onsite'') Ising ($\mathbb{Z}_2$) symmetry and the lattice space group symmetries results in a non-trivial symmetry fractionalization class for the anyons, and is shown to lead to two characteristically different confined, symmetry-broken phases. To understand the anyon condensation transitions, we use the recently introduced critical torus energy spectrum technique to identify a line of emergent 2+1D XY* transitions ending at a fine-tuned (Ising$^2$)* critical point. We provide numerical evidence for the occurrence of two symmetry breaking patterns predicted by the specific symmetry fractionalization class of the condensed anyons in the explored phase diagram. In combination with large-scale quantum Monte Carlo simulations we measure unusually large critical exponents $\eta$ for the scaling of the correlation function at the continuous anyon condensation transitions, and we further identify lines of (weakly) first order transitions in the phase diagram. As an important additional result, we discuss the phase diagram of a resulting 2+1D Ashkin-Teller model, where we demonstrate that torus spectroscopy is capable of identifying emergent XY/O(2) critical behaviour, thereby solving some longstanding open questions in the domain of the 3D Ashkin-Teller models. To establish the generality of our results, we propose a field theoretical description capturing the transition from a $\mathbb{Z}_2$ topological order to either $\mathbb{Z}_2$ symmetry broken phase, which is in excellent agreement with the numerical results.

  2 citations

• Topological defects in a double-mirror quadrupole insulator displace diverging charge

  Isidora Araya Day, Anton R. Akhmerov, Dániel Varjas

  SciPost Phys. Core 5, 053 (2022) · published 15 December 2022 | Toggle abstract · pdf

  We show that topological defects in quadrupole insulators do not host quantized fractional charges, contrary to what their Wannier representation indicates. In particular, we test the charge quantization hypothesis based on the Wannier representation of a disclination and a parametric defect. Since disclinations necessarily strain the lattice and parametric defects require closed curves in parameter space, both defects break four-fold rotation symmetry, even away from their origin. The Wannier representation of the defects is thus determined by local reflection symmetries. Contrary to the hypothesis, we find that the local charge density decays as $\sim 1/r^2$ with distance, leading to a diverging defect charge. Because topological defects are incompatible with four-fold rotation symmetry, we conclude that defect charge quantization is protected by sublattice symmetry, and not higher order topology.

  1 citation

• Efficient flow equations for dissipative systems

  Gary Schmiedinghoff, Götz S. Uhrig

  SciPost Phys. 13, 122 (2022) · published 13 December 2022 | Toggle abstract · pdf

  Open quantum systems provide an essential theoretical basis for the development of novel quantum technologies, since any real quantum system inevitably interacts with its environment. Lindblad master equations capture the effect of Markovian environments. Closed quantum systems can be treated using flow equations with the particle conserving generator. We generalize this generator to non-Hermitian matrices and open quantum systems governed by Lindbladians, comparing our results with recently proposed generators by Rosso et al. (arXiv:2007.12044). In comparison, we find that our advocated generator provides an efficient flow with good accuracy in spite of truncations.

  1 citation

• A proposal to extract and enhance four-Majorana interactions in hybrid nanowires

  Tasnum Reza, Sergey M. Frolov, David Pekker

  SciPost Phys. 13, 120 (2022) · published 7 December 2022 | Toggle abstract · pdf

  We simulate the smallest building block of the Sachdev-Ye-Kitaev (SYK) model, a system of four interacting Majorana modes. We propose a 1D Kitaev chain that has been split into three segments, i.e., two topological segments separated by a non-topological segment in the middle, hosting four Majorana Zero Modes at the ends of the topological segments. We add a non-local interaction term to this Hamiltonian which produces both bilinear (two-body) interactions and a quartic (four-body) interaction between the Majorana modes. We further tune the parameters in the Hamiltonian to reach the regime with a finite quartic interaction strength and close to zero bilinear interaction strength, as required by the SYK model. To achieve this, we map the Hamiltonian from Majorana basis to a complex fermion basis, and extract the interaction strengths using a method of characterization of low-lying energy levels and then finding the differences in energies between odd and even parity levels. We show that the interaction strengths can be tuned using two methods - (i) an approximate method of tuning overlapping Majorana wave functions (without non-local interactions) to a zero energy point followed by addition of a non-local interaction, and (ii) a direct parameter space optimization method using a genetic algorithm. We propose that this model could be further extended to more Majorana modes, and show a 6-Majorana model as an example. Since eigenspectral characterization of one-dimensional nanowire devices can be done via tunneling spectroscopy in quantum transport measurements, this study could be performed in experiment.

  1 citation

• Efficient and scalable path integral Monte Carlo simulations with worm-type updates for Bose-Hubbard and XXZ models

  Nicolas Sadoune, Lode Pollet

  SciPost Phys. Codebases 9 (2022) · published 29 November 2022 | Toggle abstract · pdf

  We present a novel and open-source implementation of the worm algorithm, which is an algorithm to simulate Bose-Hubbard and sign-positive spin models using a path-integral representation of the partition function. The code can deal with arbitrary lattice structures and assumes spin-exchange terms, or bosonic hopping amplitudes, between nearest-neighbor sites, and local or nearest-neighbor interactions of the density-density type. We explicitly demonstrate the near-linear scaling of the algorithm with respect to the system volume and the inverse temperature and analyze the autocorrelation times in the vicinity of a $U(1)$ second order phase transition. The code is written in such a way that extensions to other lattice models as well as closely-related sign-positive models can be done straightforwardly on top of the provided framework.

  6 citations

• Codebase release 1.0 for Worm Algorithm for Bose-Hubbard and XXZ Models

  Nicolas Sadoune, Lode Pollet

  SciPost Phys. Codebases 9-r1.0 (2022) · published 29 November 2022 | Toggle abstract · src

  We present a novel and open-source implementation of the worm algorithm, which is an algorithm to simulate Bose-Hubbard and sign-positive spin models using a path-integral representation of the partition function. The code can deal with arbitrary lattice structures and assumes spin-exchange terms, or bosonic hopping amplitudes, between nearest-neighbor sites, and local or nearest-neighbor interactions of the density-density type. We explicitly demonstrate the near-linear scaling of the algorithm with respect to the system volume and the inverse temperature and analyze the autocorrelation times in the vicinity of a $U(1)$ second order phase transition. The code is written in such a way that extensions to other lattice models as well as closely-related sign-positive models can be done straightforwardly on top of the provided framework.

  1 citation