Publications

Order by: publication date number of citations

• Effect of next-nearest neighbor hopping on the single-particle excitations at finite temperature

  Harun Al Rashid, Dheeraj Kumar Singh

  SciPost Phys. 16, 107 (2024) · published 22 April 2024 | Toggle abstract · pdf

  In the half-filled one-orbital Hubbard model on a square lattice, we study the effect of next-nearest neighbor hopping on the single-particle spectral function at finite temperature using an exact-diagonalization + Monte-Carlo based approach to the simulation process. We find that the pseudogap-like dip, existing in the density of states in between the Néel temperature $T_N$ and a relatively higher temperature scale $T^*$, is accompanied with a significant asymmetry in the hole- and particle-excitation energy along the high-symmetry directions as well as along the normal-state Fermi surface. On moving from ($\pi/2, \pi/2$) toward $(\pi, 0)$ along the normal state Fermi surface, the hole-excitation energy increases, a behavior remarkably similar to what is observed in the $d$-wave state and pseudogap phase of high-$T_c$ cuprates, whereas the particle-excitation energy decreases. The quasiparticle peak height is the largest near ($\pi/2, \pi/2$) whereas it is the smallest near $(\pi, 0)$. These spectral features survive beyond $T_N$. The temperature window $T_N \lesssim T \lesssim T^*$ shrinks with an increase in the next-nearest neighbor hopping, which indicates that the next-nearest neighbor hopping may not be supportive to the pseudogap-like features.

• A linear algebra-based approach to understanding the relation between the winding number and zero-energy edge states

  Chen-Shen Lee

  SciPost Phys. Core 7, 003 (2024) · published 30 January 2024 | Toggle abstract · pdf

  The one-to-one relation between the winding number and the number of robust zero-energy edge states, known as bulk-boundary correspondence, is a celebrated feature of 1$d$ systems with chiral symmetry. Although this property can be explained by the K-theory, the underlying mechanism remains elusive. Here, we demonstrate that, even without resorting to advanced mathematical techniques, one can prove this correspondence and clearly illustrate the mechanism using only Cauchy's integral and elementary algebra. Furthermore, our approach to proving bulk-boundary correspondence also provides clear insights into a kind of system that doesn't respect chiral symmetry but can have robust left or right zero-energy edge states. In such systems, one can still assign the winding number to characterize these zero-energy edge states.

• 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.

• Nonlinear response in diffusive systems

  Luca V. Delacrétaz, Ruchira Mishra

  SciPost Phys. 16, 047 (2024) · published 12 February 2024 | Toggle abstract · pdf

  Nonintegrable systems thermalize, leading to the emergence of fluctuating hydrodynamics. Typically, this hydrodynamics is diffusive. We use the effective field theory (EFT) of diffusion to compute higher-point functions of conserved densities. We uncover a simple scaling behavior of correlators at late times, and, focusing on three and four-point functions, derive the asymptotically exact universal scaling functions that characterize nonlinear response in diffusive systems. This allows for precision tests of thermalization beyond linear response in quantum and classical many-body systems. We confirm our predictions in a classical lattice gas.

• Dual symplectic classical circuits: An exactly solvable model of many-body chaos

  Alexios Christopoulos, Andrea De Luca, Dmitry L. Kovrizhin, Tomaž Prosen

  SciPost Phys. 16, 049 (2024) · published 20 February 2024 | Toggle abstract · pdf

  We propose a general exact method of calculating dynamical correlation functions in dual symplectic brick-wall circuits in one dimension. These are deterministic classical many-body dynamical systems which can be interpreted in terms of symplectic dynamics in two orthogonal (time and space) directions. In close analogy with quantum dual-unitary circuits, we prove that two-point dynamical correlation functions are non-vanishing only along the edges of the light cones. The dynamical correlations are exactly computable in terms of a one-site Markov transfer operator, which is generally of infinite dimensionality. We test our theory in a specific family of dual-symplectic circuits, describing the dynamics of a classical Floquet spin chain. Remarkably, expressing these models in the form of a composition of rotations leads to a transfer operator with a block diagonal form in the basis of spherical harmonics. This allows us to obtain analytical predictions for simple local observables. We demonstrate the validity of our theory by comparison with Monte Carlo simulations, displaying excellent agreement with the latter for a choice of observables.

• Dipole symmetries from the topology of the phase space and the constraints on the low-energy spectrum

  Tomáš Brauner, Naoki Yamamoto, Ryo Yokokura

  SciPost Phys. 16, 051 (2024) · published 20 February 2024 | Toggle abstract · pdf

  We demonstrate the general existence of a local dipole conservation law in bosonic field theory. The scalar charge density arises from the symplectic form of the system, whereas the tensor current descends from its stress tensor. The algebra of spatial translations becomes centrally extended in presence of field configurations with a finite nonzero charge. Furthermore, when the symplectic form is closed but not exact, the system may, surprisingly, lack a well-defined momentum density. This leads to a theorem for the presence of additional light modes in the system whenever the short-distance physics is governed by a translationally invariant local field theory. We also illustrate this mechanism for axion electrodynamics as an example of a system with Nambu-Goldstone modes of higher-form symmetries.

• Real-space spectral simulation of quantum spin models: Application to generalized Kitaev models

  Francisco M. O. Brito, Aires Ferreira

  SciPost Phys. Core 7, 006 (2024) · published 21 February 2024 | Toggle abstract · pdf

  The proliferation of quantum fluctuations and long-range entanglement presents an outstanding challenge for the numerical simulation of interacting spin systems with exotic ground states. Here, we present a toolset of Chebyshev polynomial-based iterative methods that provides a unified framework to study the thermodynamical properties, critical behavior and dynamics of frustrated quantum spin models with controlled accuracy. Similar to previous applications of the Chebyshev spectral methods to condensed matter systems, the algorithmic complexity scales linearly with the Hilbert space dimension and the Chebyshev truncation order. Using this approach, we study two paradigmatic quantum spin models on the honeycomb lattice: the Kitaev-Heisenberg (K-H) and the Kitaev-Ising (K-I) models. We start by applying the Chebyshev toolset to compute nearest-neighbor spin correlations, specific heat and entropy of the K-H model on a 24-spin cluster. Our results are benchmarked against exact diagonalization and a popular iterative method based on thermal pure quantum states. The transitions between a variety of magnetic phases, namely ferromagnetic, Néel, zigzag and stripy antiferromagnetic and quantum spin liquid phases are obtained accurately and efficiently. We also determine the temperature dependence of the spin correlations, over more than three decades in temperature, by means of a finite temperature Chebyshev polynomial method introduced here. Finally, we report novel dynamical signatures of the quantum phase transitions in the K-I model. Our findings suggest that the efficiency, versatility and low-temperature stability of the Chebyshev framework developed here could pave the way for previously unattainable studies of quantum spin models in two dimensions.

• Deconfined quantum criticality in the long-range, anisotropic Heisenberg chain

  Anton Romen, Stefan Birnkammer, Michael Knap

  SciPost Phys. Core 7, 008 (2024) · published 22 February 2024 | Toggle abstract · pdf

  Deconfined quantum criticality describes continuous phase transitions that are not captured by the Landau-Ginzburg paradigm. Here, we investigate deconfined quantum critical points in the long-range, anisotropic Heisenberg chain. With matrix product state simulations, we show that the model undergoes a continuous phase transition from a valence bond solid to an antiferromagnet. We extract the critical exponents of the transition and connect them to an effective field theory obtained from bosonization techniques. We show that beyond stabilizing the valance bond order, the long-range interactions are irrelevant and the transition is well described by a double frequency sine-Gordon model. We propose how to realize and probe deconfined quantum criticality in our model with trapped-ion quantum simulators.

• Quantum current and holographic categorical symmetry

  Tian Lan, Jing-Ren Zhou

  SciPost Phys. 16, 053 (2024) · published 23 February 2024 | Toggle abstract · pdf

  We establish the formulation for quantum current. Given a symmetry group G, let $\mathcal{C}$:=Rep G be its representation category. Physically, symmetry charges are objects of $\mathcal{C}$ and symmetric operators are morphisms in $\mathcal{C}$. The addition of charges is given by the tensor product of representations. For any symmetric operator O crossing two subsystems, the exact symmetry charge transported by O can be extracted. The quantum current is defined as symmetric operators that can transport symmetry charges over an arbitrary long distance. A quantum current exactly corresponds to an object in the Drinfeld center $Z_1(\mathcal{C})$. The condition for quantum currents to be superconducting is also specified, which corresponds to condensation of anyons in one higher dimension. To express the local conservation, the internal hom must be used to compute the charge difference, and the framework of enriched category is inevitable. To illustrate these ideas, we develop a rigorous scheme of renormalization in one-dimensional lattice systems and analyse the fixed-point models. It is proved that in the fixed-point models, superconducting quantum currents form a Lagrangian algebra in $Z_1(\mathcal{C})$ and the boundary-bulk correspondence is verified in the enriched setting. Overall, the quantum current provides a natural physical interpretation to the holographic categorical symmetry.

• Polaron spectroscopy of interacting Fermi systems: Insights from exact diagonalization

  Ivan Amelio, Nathan Goldman

  SciPost Phys. 16, 056 (2024) · published 26 February 2024 | Toggle abstract · pdf

  Immersing a mobile impurity into a many-body quantum system represents a theoretically intriguing and experimentally effective way of probing its properties. In this work, we study the polaron spectral function in various environments, within the framework of Fermi-Hubbard models. Inspired by possible realizations in cold atoms and semiconductor heterostructures, we consider different configurations for the background Fermi gas, including charge density waves, multiple Fermi seas and pair superfluids. While our calculations are performed using an exact-diagonalization approach, hence limiting our analysis to systems of few interacting Fermi particles, we identify robust spectral features supported by theoretical results. Our work provides a benchmark for computations based on mean-field approaches and reveal surprising features of polaron spectra, inspiring new theoretical investigations.