Publications

Order by: publication date number of citations

• Electric polarization and magnetization in metals

  Perry T. Mahon, John E. Sipe

  SciPost Phys. 14, 058 (2023) · published 3 April 2023 | Toggle abstract · pdf

  A feature of the "modern theory" is that electric polarization is not well-defined in a metallic ground state. A different approach invokes the general existence of a complete set of exponentially localized Wannier functions, with respect to which general definitions of microscopic electronic polarization and magnetization fields, and free charge and current densities are always admitted. These definitions assume no particular initial electronic state of the crystal, and the set of microscopic fields satisfy the usual relations of classical electrodynamics. Notably, when applied to a trivial insulator initially occupying its $T=0$ ground state, the expressions for the unperturbed polarization and orbital magnetization, and for the orbital magnetoelectric polarizability tensor obtained from these different approaches can agree. However, the "modern theory of magnetization" has been extended via thermodynamic arguments to include metals and Chern insulators. We here compare with that generalization and find disagreement; the manner in which the expressions differ elucidates the distinct philosophies of these approaches. Our approach leads to the usual electrical conductivity tensor in the long-wavelength limit; in the absence of any scattering mechanisms, the dc divergence of that tensor is due to the free current density and the finite-frequency generalization of the anomalous Hall contribution arises from a combination of bound and free current densities. As well, in the limit that the electronic ground state is that of a trivial insulator, our expressions reduce to those expected for the unperturbed polarization and magnetization, and the electric susceptibility.

  1 citation

• Coherent forward scattering as a robust probe of multifractality in critical disordered media

  Maxime Martinez, Gabriel Lemarié, Bertrand Georgeot, Christian Miniatura, Olivier Giraud

  SciPost Phys. 14, 057 (2023) · published 31 March 2023 | Toggle abstract · pdf

  We study coherent forward scattering (CFS) in critical disordered systems, whose eigenstates are multifractals. We give general and simple arguments that make it possible to fully characterize the dynamics of the shape and height of the CFS peak. We show that the dynamics is governed by multifractal dimensions $D_1$ and $D_2$, which suggests that CFS could be used as an experimental probe for quantum multifractality. Our predictions are universal and numerically verified in three paradigmatic models of quantum multifractality: Power-law Random Banded Matrices (PRBM), the Ruijsenaars-Schneider ensembles (RS), and the three-dimensional kicked-rotor (3DKR). In the strong multifractal regime, we show analytically that these universal predictions exactly coincide with results from standard perturbation theory applied to the PRBM and RS models.

  4 citations

• Vortex states in a PbTiO$_3$ ferroelectric cylinder

  Svitlana Kondovych, Maksim Pavlenko, Yurii Tikhonov, Anna Razumnaya, Igor Lukyanchuk

  SciPost Phys. 14, 056 (2023) · published 30 March 2023 | Toggle abstract · pdf

  The past decade's discovery of topological excitations in nanoscale ferroelectrics has turned the prevailing view that the polar ground state in these materials is uniform. However, the systematic understanding of the topological polar structures in ferroelectrics is still on track. Here we study stable vortex-like textures of polarization in the nanocylinders of ferroelectric PbTiO$_3$, arising due to the competition of the elastic and electrostatic interactions. Using the phase-field numerical modeling and analytical calculations, we show that the orientation of the vortex core with respect to the cylinder axis is tuned by the geometrical parameters and temperature of the system.

  3 citations

• Toward density functional theory on quantum computers?

  Bruno Senjean, Saad Yalouz, Matthieu Saubanère

  SciPost Phys. 14, 055 (2023) · published 30 March 2023 | Toggle abstract · pdf

  Quantum Chemistry and Physics have been pinpointed as killer applications for quantum computers, and quantum algorithms have been designed to solve the Schrödinger equation with the wavefunction formalism. It is yet limited to small systems, as their size is dictated by the number of qubits available. Computations on large systems rely mainly on mean-field-type approaches such as density functional theory, for which no quantum advantage has been envisioned so far. In this work, we question this a priori by proposing a counter-intuitive mapping from the non-interacting to an auxiliary interacting Hamiltonian that may provide the desired advantage.

  6 citations

• A path integral ground state Monte Carlo algorithm for entanglement of lattice bosons

  Emanuel Casiano-Diaz, C. M. Herdman, Adrian Del Maestro

  SciPost Phys. 14, 054 (2023) · published 29 March 2023 | Toggle abstract · pdf

  A ground state path integral quantum Monte Carlo algorithm is introduced that allows for the study of entanglement in lattice bosons at zero temperature. The Rényi entanglement entropy between spatial subregions is explored across the phase diagram of the one dimensional Bose-Hubbard model for systems consisting of up to $L=256$ sites at unit-filling without any restrictions on site occupancy, far beyond the reach of exact diagonalization. The favorable scaling of the algorithm is demonstrated through a further measurement of the Rényi entanglement entropy at the two dimensional superfluid-insulator critical point for large system sizes, confirming the existence of the expected entanglement boundary law in the ground state. The Rényi estimator is extended to measure the symmetry resolved entanglement that is operationally accessible as a resource for experimentally relevant lattice gases with fixed total particle number.

  1 citation

• Structural classification of boron nitride twisted bilayers and ab initio investigation of their stacking-dependent electronic structure

  Sylvain Latil, Hakim Amara, Lorenzo Sponza

  SciPost Phys. 14, 053 (2023) · published 29 March 2023 | Toggle abstract · pdf

  Since the discovery of superconductive twisted bilayer graphene which initiated the field of twistronics, moiré systems have not ceased to exhibit fascinating properties. We demonstrate that in boron nitride twisted bilayers, for a given moiré periodicity, there are five different stackings which preserve the monolayer hexagonal symmetry (i.e. the invariance upon rotations of 120°) and not only two as always discussed in literature. We introduce some definitions and a nomenclature that identify unambiguously the twist angle and the stacking sequence of any hexagonal bilayer with order-3 rotation symmetry. Moreover, we employ density functional theory to study the evolution of the band structure as a function of the twist angle for each of the five stacking sequences of boron nitride bilayers. We show that the gap is indirect at any angle and in any stacking, and identify features that are conserved within the same stacking sequence irrespective of the angle of twist.

  3 citations

• Quantum spin spiral ground state of the ferrimagnetic sawtooth chain

  Roman Rausch, Matthias Peschke, Cassian Plorin, Jürgen Schnack, Christoph Karrasch

  SciPost Phys. 14, 052 (2023) · published 28 March 2023 | Toggle abstract · pdf

  The ferrimagnetic phase of the sawtooth chain with mixed ferromagnetic nearest-neighbour interactions $J$ and antiferromagnetic next-nearest-neighbour interactions $J'$ (within the isotropic Heisenberg model) was previously characterized as a phase with commensurate order. In this paper, we demonstrate that the system in fact exhibits an incommensurate quantum spin spiral. Even though the ground state is translationally invariant in terms of the local spin expectations $\left<{\vec{S}_i}\right>$, the spiral can be detected via the connected spin-spin correlations $\left<{\vec{S}_i\cdot\vec{S}_j}\right>-\left<{\vec{S}_i}\right>\cdot\left<{\vec{S}_j}\right>$ between the apical spins. It has a long wavelength that grows with $J'$ and that soon exceeds finite-system sizes typically employed in numerical simulations. A faithful treatment thus requires the use of state-of-the-art simulations for large, periodic systems. In this work, we are able to accurately treat up to $L=400$ sites (200 unit cells) with periodic boundary conditions using the density-matrix renormaliztion group (DMRG). Exploiting the SU(2) symmetry allows us to directly compute the lowest-energy state for a given total spin. Our results are corroborated by variational uniform matrix product state (VUMPS) calculations, which work directly in the thermodynamic limit at the cost of a lower accuracy.

  2 citations

• On the intrinsic pinning and shape of charge-density waves in 1D Peierls systems

  Olivier Cépas, Pascal Quémerais

  SciPost Phys. 14, 051 (2023) · published 28 March 2023 | Toggle abstract · pdf

  Within the standard perturbative approach of Peierls, a charge-density wave is usually assumed to have a cosine shape of weak amplitude. In nonlinear physics, we know that waves can be deformed. What are the effects of the nonlinearities of the electron-lattice models in the physical properties of Peierls systems? We study in details a nonlinear discrete model, introduced by Brazovskii, Dzyaloshinskii and Krichever. First, we recall its exact analytical solution at integrable points. It is a cnoidal wave, with a continuous envelope, which may slide over the lattice potential at no energy cost, following Fröhlich's argument. Second, we show numerically that integrability-breaking terms modify some important physical properties. The envelope function may become discontinuous: electrons form stronger chemical bonds which are local dimers or oligomers. We show that an Aubry transition from the sliding phase to an insulating pinned phase occurs when the model is no longer integrable.

  2 citations

• Quantum-enhanced multiparameter estimation and compressed sensing of a field

  Youcef Baamara, Manuel Gessner, Alice Sinatra

  SciPost Phys. 14, 050 (2023) · published 27 March 2023 | Toggle abstract · pdf

  We show that a significant quantum gain corresponding to squeezed or over-squeezed spin states can be obtained in multiparameter estimation by measuring the Hadamard coefficients of a 1D or 2D signal. The physical platform we consider consists of two-level atoms in an optical lattice in a squeezed-Mott configuration, or more generally by correlated spins distributed in spatially separated modes. Our protocol requires the possibility to locally flip the spins, but relies on collective measurements. We give examples of applications to scalar or vector field mapping and compressed sensing.

  3 citations

• Quantum chaos in perturbative super-Yang-Mills Theory

  Tristan McLoughlin, Raul Pereira, Anne Spiering

  SciPost Phys. 14, 049 (2023) · published 27 March 2023 | Toggle abstract · pdf

  We provide numerical evidence that the perturbative spectrum of anomalous dimensions in maximally supersymmetric $SU(N)$ Yang-Mills theory is chaotic at finite values of $N$. We calculate the probability distribution of one-loop level spacings for subsectors of the theory and show that for large $N$ it is given by the Poisson distribution of integrable models, while at finite values it is the Wigner-Dyson distribution of the Gaussian orthogonal ensemble random matrix theory. We extend these results to two-loop order and to a one-parameter family of deformations. We further study the spectral rigidity for these models and show that it is also well described by random matrix theory. Finally we demonstrate that the finite-$N$ eigenvectors possess properties of chaotic states.

  2 citations