Publications

Order by: publication date number of citations

• Systematic analysis of crystalline phases in bosonic lattice models with algebraically decaying density-density interactions

  Jan A. Koziol, Antonia Duft, Giovanna Morigi, Kai P. Schmidt

  SciPost Phys. 14, 136 (2023) · published 30 May 2023 | Toggle abstract · pdf

  We propose a general approach to analyse diagonal ordering patterns in bosonic lattice models with algebraically decaying density-density interactions on arbitrary lattices. The key idea is a systematic search for the energetically best order on all unit cells of the lattice up to a given extent. Using resummed couplings we evaluate the energy of the ordering patterns in the thermodynamic limit using finite unit cells. We apply the proposed approach to the atomic limit of the extended Bose-Hubbard model on the triangular lattice at fillings $f=1/2$ and $f=1$. We investigate the ground-state properties of the antiferromagnetic long-range Ising model on the triangular lattice and determine a six-fold degenerate plain-stripe phase to be the ground state for finite decay exponents. We also probe the classical limit of the Fendley-Sengupta-Sachdev model describing Rydberg atom arrays. We focus on arrangements where the atoms are placed on the sites or links of the Kagome lattice. Our method provides a general framework to treat cristalline structures resulting from long-range interactions.

  10 citations

• Quantum droplets with particle imbalance in one-dimensional optical lattices

  Jofre Vallès-Muns, Ivan Morera, Grigori E. Astrakharchik, Bruno Juliá-Díaz

  SciPost Phys. 16, 074 (2024) · published 13 March 2024 | Toggle abstract · pdf

  We study the formation of particle-imbalanced quantum droplets in a one-dimensional optical lattice containing a binary bosonic mixture at zero temperature. To understand the effects of the imbalance from both the few- and many-body perspectives, we employ density matrix renormalization group (DMRG) simulations and perform the extrapolation to the thermodynamic limit. In contrast to the particle-balanced case, not all bosons are paired, resulting in an interplay between bound states and individual atoms that leads to intriguing phenomena. Quantum droplets manage to sustain a small particle imbalance, resulting in an effective magnetization. However, as the imbalance is further increased, a critical point is eventually crossed, and the droplets start to expel the excess particles while the magnetization in the bulk remains constant. Remarkably, the unpaired particles on top of the quantum droplet effectively form a super Tonks-Girardeau (hard-rod) gas. The expulsion point coincides with the critical density at which the size of the super Tonks-Girardeau gas matches the size of the droplet.

  10 citations

• Anisotropy-mediated reentrant localization

  Xiaolong Deng, Alexander L. Burin, Ivan M. Khaymovich

  SciPost Phys. 13, 116 (2022) · published 24 November 2022 | Toggle abstract · pdf

  We consider a 2d dipolar system, $d=2$, with the generalized dipole-dipole interaction $\sim r^{-a}$, and the power $a$ controlled experimentally in trapped-ion or Rydberg-atom systems via their interaction with cavity modes. We focus on the dilute dipolar excitation case when the problem can be effectively considered as single-particle with the interaction providing long-range dipolar-like hopping. We show that the spatially homogeneous tilt $\beta$ of the dipoles giving rise to the anisotropic dipole exchange leads to the non-trivial reentrant localization beyond the locator expansion, $a<d$, unlike the models with random dipole orientation. The Anderson transitions are found to occur at the finite values of the tilt parameter $\beta = a$, $0<a<d$, and $\beta = a/(a-d/2)$, $d/2<a<d$, showing the robustness of the localization at small and large anisotropy values. Both exact analytical methods and extensive numerical calculations show power-law localized eigenstates in the bulk of the spectrum, obeying recently discovered duality $a\leftrightarrow 2d-a$ of their spatial decay rate, on the localized side of the transition, $a>a_{AT}$. This localization emerges due to the presence of the ergodic extended states at either spectral edge, which constitute a zero fraction of states in the thermodynamic limit, decaying though extremely slowly with the system size.

  10 citations

• divERGe implements various Exact Renormalization Group examples

  Jonas B. Profe, Dante M. Kennes, Lennart Klebl

  SciPost Phys. Codebases 26 (2024) · published 8 February 2024 | Toggle abstract · pdf

  We present divERGe, an open source, high-performance C/C++/Python library for functional renormalization group (FRG) calculations on lattice fermions. The versatile model interface is tailored to real materials applications and seamlessly integrates with existing, standard tools from the ab-initio community. The code fully supports multi-site, multi-orbital, and non-SU(2) models in all of the three included FRG variants: TU$^2$FRG, N-patch FRG, and grid FRG. With this, the divERGe library paves the way for widespread application of FRG as a tool in the study of competing orders in quantum materials.

  9 citations

• Pyqcm: An open-source Python library for quantum cluster methods

  Théo N. Dionne, Alexandre Foley, Moïse Rousseau, David Sénéchal

  SciPost Phys. Codebases 23 (2023) · published 20 December 2023 | Toggle abstract · pdf

  Pyqcm is a Python/C++ library that implements a few quantum cluster methods with an exact diagonalization impurity solver. Quantum cluster methods are used in the study of strongly correlated electrons to provide an approximate solution to Hubbard-like models. The methods covered by this library are Cluster Perturbation Theory (CPT), the Variational Cluster Approach (VCA) and Cellular (or Cluster) Dynamical Mean Field Theory (CDMFT). The impurity solver (the technique used to compute the cluster's interacting Green function) is exact diagonalization from sparse matrices, using the Lanczos algorithm and variants thereof. The core library is written in C++ for performance, but the interface is in Python, for ease of use and inter-operability with the numerical Python ecosystem. The library is distributed under the GPL license.

  9 citations

• Special transition and extraordinary phase on the surface of a two-dimensional quantum Heisenberg antiferromagnet

  Chengxiang Ding, Wenjing Zhu, Wenan Guo, Long Zhang

  SciPost Phys. 15, 012 (2023) · published 18 July 2023 | Toggle abstract · pdf

  Continuous phase transitions exhibit richer critical phenomena on the surface than in the bulk, because distinct surface universality classes can be realized at the same bulk critical point by tuning the surface interactions. The exploration of surface critical behavior provides a window looking into higher-dimensional boundary conformal field theories. In this work, we study the surface critical behavior of a two-dimensional (2D) quantum critical Heisenberg model by tuning the surface coupling strength, and discover a direct special transition on the surface from the ordinary phase into an extraordinary phase. The extraordinary phase has a long-range antiferromagnetic order on the surface, in sharp contrast to the logarithmic decaying spin correlations in the 3D classical O(3) model. The special transition point has a new set of critical exponents, $y_{s}=0.86(4)$ and $\eta_{\parallel}=-0.33(1)$, which are distinct from the special transition of the classical O(3) model and indicate a new surface universality class of the 3D O(3) Wilson-Fisher theory.

  9 citations

• Continuously varying critical exponents in long-range quantum spin ladders

  Patrick Adelhardt, Kai Phillip Schmidt

  SciPost Phys. 15, 087 (2023) · published 11 September 2023 | Toggle abstract · pdf

  We investigate the quantum-critical behavior between the rung-singlet phase with hidden string order and the Néel phase with broken SU(2)-symmetry in quantum spin ladders with algebraically decaying unfrustrated long-range Heisenberg interactions. To this end, we determine high-order series expansions of energies and observables in the thermodynamic limit about the isolated rung-dimer limit. This is achieved by extending the method of perturbative continuous unitary transformations (pCUT) to long-range Heisenberg interactions and to the calculation of generic observables. The quantum-critical breakdown of the rung-singlet phase then allows us to determine the critical phase transition line and the entire set of critical exponents as a function of the decay exponent of the long-range interaction. We demonstrate long-range mean-field behavior as well as a non-trivial regime of continuously varying critical exponents implying the absence of deconfined criticality contrary to a recent suggestion in the literature.

  9 citations

• Ab initio electron-lattice downfolding: Potential energy landscapes, anharmonicity, and molecular dynamics in charge density wave materials

  Arne Schobert, Jan Berges, Erik G. C. P. van Loon, Michael A. Sentef, Sergey Brener, Mariana Rossi, Tim O. Wehling

  SciPost Phys. 16, 046 (2024) · published 9 February 2024 | Toggle abstract · pdf

  The interplay of electronic and nuclear degrees of freedom presents an outstanding problem in condensed matter physics and chemistry. Computational challenges arise especially for large systems, long time scales, in nonequilibrium, or in systems with strong correlations. In this work, we show how downfolding approaches facilitate complexity reduction on the electronic side and thereby boost the simulation of electronic properties and nuclear motion-in particular molecular dynamics (MD) simulations. Three different downfolding strategies based on constraining, unscreening, and combinations thereof are benchmarked against full density functional calculations for selected charge density wave (CDW) systems, namely 1H-TaS$_2$, 1T-TiSe$_2$, 1H-NbS$_2$, and a one-dimensional carbon chain. We find that the downfolded models can reproduce potential energy surfaces on supercells accurately and facilitate computational speedup in MD simulations by about five orders of magnitude in comparison to purely ab initio calculations. For monolayer 1H-TaS$_2$ we report classical and path integral replica exchange MD simulations, revealing the impact of thermal and quantum fluctuations on the CDW transition.

  9 citations

• Inferring effective couplings with restricted Boltzmann machines

  Aurélien Decelle, Cyril Furtlehner, Alfonso De Jesús Navas Gómez, Beatriz Seoane

  SciPost Phys. 16, 095 (2024) · published 5 April 2024 | Toggle abstract · pdf

  Generative models offer a direct way of modeling complex data. Energy-based models attempt to encode the statistical correlations observed in the data at the level of the Boltzmann weight associated with an energy function in the form of a neural network. We address here the challenge of understanding the physical interpretation of such models. In this study, we propose a simple solution by implementing a direct mapping between the Restricted Boltzmann Machine and an effective Ising spin Hamiltonian. This mapping includes interactions of all possible orders, going beyond the conventional pairwise interactions typically considered in the inverse Ising (or Boltzmann Machine) approach, and allowing the description of complex datasets. Earlier works attempted to achieve this goal, but the proposed mappings were inaccurate for inference applications, did not properly treat the complexity of the problem, or did not provide precise prescriptions for practical application. To validate our method, we performed several controlled inverse numerical experiments in which we trained the RBMs using equilibrium samples of predefined models with local external fields, 2-body and 3-body interactions in different sparse topologies. The results demonstrate the effectiveness of our proposed approach in learning the correct interaction network and pave the way for its application in modeling interesting binary variable datasets. We also evaluate the quality of the inferred model based on different training methods.

  9 citations

• Majorana bound states in encapsulated bilayer graphene

  Fernando Peñaranda, Ramón Aguado, Elsa Prada, Pablo San-Jose

  SciPost Phys. 14, 075 (2023) · published 18 April 2023 | Toggle abstract · pdf

  The search for robust topological superconductivity and Majorana bound states continues, exploring both one-dimensional (1D) systems such as semiconducting nanowires and two-dimensional (2D) platforms. In this work we study a 2D approach based on graphene bilayers encapsulated in transition metal dichalcogenides that, unlike previous proposals involving the Quantum Hall regime in graphene, requires weaker magnetic fields and does not rely on interactions. The encapsulation induces strong spin-orbit coupling on the graphene bilayer, which opens a sizeable gap and stabilizes fragile pairs of helical edge states. We show that, when subject to an in-plane Zeeman field, armchair edges can be transformed into p-wave one-dimensional topological superconductors by contacting them laterally with conventional superconductors. We demonstrate the emergence of Majorana bound states (MBSs) at the sample corners of crystallographically perfect flakes, belonging either to the D or the BDI symmetry classes depending on parameters. We compute the phase diagram, the resilience of MBSs against imperfections, and their manifestation as a 4$\pi$-periodic effect in Josephson junction geometries, all suggesting the existence of a topological phase within experimental reach.

  9 citations