Publications

Order by: publication date number of 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

• 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.

  1 citation

• 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.

  1 citation

• Scrambling under quench

  Adith Sai Aramthottil, Diptarka Das, Suchetan Das, Bidyut Dey

  SciPost Phys. Core 6, 021 (2023) · published 28 March 2023 | Toggle abstract · pdf

  We evaluate out of time ordered correlators in certain low dimensional quantum systems at zero temperature, subjected to homogenous quantum quenches. We find that when the Lyapunov exponent exists, it can be identified with the quenched energy. We show that the exponent naturally gets related to the post-quench effective temperature. In the context of sudden quenches the exponent is determined in terms of the quench amplitude while for smooth quenches we observe scalings (both the Kibble-Zurek as well as the fast) of the exponent with the quench rate. The scalings are identical to that of the energy generated during the quench.

  2 citations

• Enhancement of chiral edge currents in ($d$+1)-dimensional atomic Mott-band hybrid insulators

  Matteo Ferraretto, Andrea Richaud, Lorenzo Del Re, Leonardo Fallani, Massimo Capone

  SciPost Phys. 14, 048 (2023) · published 24 March 2023 | Toggle abstract · pdf

  We consider the effect of a local interatomic repulsion on synthetic heterostructures where a discrete synthetic dimension is created by Raman processes on top of $SU(N)$-symmetric two-dimensional lattice systems. At a filling of one fermion per site, increasing the interaction strength, the system is driven towards a Mott state which is adiabatically connected to a band insulator. The chiral currents associated with the synthetic magnetic field increase all the way to the Mott transition, where they reach the maximum value, and they remain finite in the whole insulating state. The transition towards the Mott-band insulator is associated with the opening of a gap within the low-energy quasiparticle peak, while a mean-field picture is recovered deep in the insulating state.

  3 citations

• Greedy optimization of the geometry of Majorana Josephson junctions

  André Melo, Tanko Tanev, Anton R. Akhmerov

  SciPost Phys. 14, 047 (2023) · published 23 March 2023 | Toggle abstract · pdf

  Josephson junctions in a two-dimensional electron gas with spin-orbit coupling are a promising candidate to realize topological superconductivity. While it is known that the geometry of the junction strongly influences the size of the topological gap, the question of how to construct optimal geometries remains unexplored. We introduce a greedy numerical algorithm to optimize the shape of Majorana junctions. The core of the algorithm relies on perturbation theory and is embarrassingly parallel, which allows it to explore the design space efficiently. By introducing stochastic variations in the junction Hamiltonian, we avoid overfitting geometries to specific system parameters. Furthermore, we constrain the optimizer to produce smooth geometries by applying image filtering and fabrication resolution constraints. We run the algorithm in various setups and find that it reliably produces geometries with increased topological gaps over large parameter ranges. The results are robust to variations in the optimization starting point and the presence of disorder, which suggests the optimizer is capable of finding global maxima.

  2 citations

• Low-temperature electron mobility in doped semiconductors with high dielectric constant

  Khachatur G. Nazaryan, Mikhail Feigel'man

  SciPost Phys. 14, 046 (2023) · published 23 March 2023 | Toggle abstract · pdf

  We propose and study theoretically a new mechanism of electron-impurity scattering in doped seminconductors with large dielectric constant. It is based upon the idea of vector character of deformations caused in the crystalline lattice by any point defects siting asymmetrically in the unit cell. In result, local lattice compression due to the elastic deformations decay as $1/r^2$ with distance from impurity. Electron scattering (due to standard deformation potential) on such defects leads to low-temperature mobility $\mu(n)$ scaling with electron density $n$ of the form $\mu(n) \propto n^{-2/3}$ that is close to experimental observations on a number of relevant materials.

• Catalogue of phonon modes in several cuprate high-temperature superconductors from density functional theory

  Noah J. Jabusch, Pavan Dayal, Alexander F. Kemper

  SciPost Phys. Core 6, 018 (2023) · published 23 March 2023 | Toggle abstract · pdf

  Cuprates are promising candidates for study in developing higher temperature superconductors. A thorough understanding of a material's phonon modes enables further investigation of its emergent properties, however, no complete reference of the phonon modes exists. Here, using density functional theory, we evaluate the phonon frequencies and atomic displacements for $\text{La}_2\text{CuO}_4$, $\text{Bi}_2\text{Sr}_2\text{CuO}_6$, and $\text{Bi}_2\text{Sr}_2\text{CaCu}_2\text{O}_8$, in their tetragonal structures. The phonon modes for all materials agree with those expected from space group symmetry and display instabilities corresponding to known low-temperature structural phase transitions.

• Topological quantum phase transition of nickelocene on Cu(100)

  Germán G. Blesio, Rok Žitko, Luis O. Manuel, Armando A. Aligia

  SciPost Phys. 14, 042 (2023) · published 21 March 2023 | Toggle abstract · pdf

  Local quantum phase transitions driven by Kondo correlations have been theoretically proposed in several magnetic nanosystems; however, clear experimental signatures are scant. Modeling a nickelocene molecule on a Cu(100) substrate as a two-orbital Anderson impurity with single-ion anisotropy coupled to two conduction bands, we find that recent scanning tunneling spectra reveal the existence of a topological quantum phase transition from the usual local Fermi liquid with high zero-bias conductance to a non-Landau Fermi liquid, characterized by a non-trivial quantized Luttinger integral, with a small conductance. The effects of intermediate valence, finite temperature, and structural relaxation of the molecule position allow us to explain the different observed behaviors.

  2 citations