Publications

Order by: publication date number of citations

• Role of Sb in the superconducting kagome metal CsV$_3$Sb$_5$ revealed by its anisotropic compression

  Alexander A. Tsirlin, Pierre Fertey, Brenden R. Ortiz, Berina Klis, Valentino Merkl, Martin Dressel, Stephen D. Wilson, Ece Uykur

  SciPost Phys. 12, 049 (2022) · published 2 February 2022 | Toggle abstract · pdf

  Pressure evolution of the superconducting kagome metal CsV$_3$Sb$_5$ is studied with single-crystal x-ray diffraction and density-functional band-structure calculations. A highly anisotropic compression observed up to 5 GPa is ascribed to the fast shrinkage of the Cs-Sb distances and suppression of Cs rattling motion. This prevents Sb displacements required to stabilize the three-dimensional charge-density-wave (CDW) order and elucidates the disappearance of the CDW already at 2 GPa despite only minor changes in the electronic structure of the normal state. At higher pressures, vanadium bands still change only marginally, whereas antimony bands undergo a major reconstruction caused by the gradual formation of the interlayer Sb-Sb bonds. Our results exclude pressure tuning of vanadium kagome bands as the main mechanism for the non-trivial evolution of superconductivity in real-world kagome metals. Concurrently, we establish the central role of Sb atoms in the stabilization of a three-dimensional CDW and Fermi surface reconstruction.

  30 citations

• On the dynamics of free-fermionic tau-functions at finite temperature

  Daniel Chernowitz, Oleksandr Gamayun

  SciPost Phys. Core 5, 006 (2022) · published 31 January 2022 | Toggle abstract · pdf

  In this work we explore an instance of the $\tau$-function of vertex type operators, specified in terms of a constant phase shift in a free-fermionic basis. From the physical point of view this $\tau$-function has multiple interpretations: as a correlator of Jordan-Wigner strings, a Loschmidt Echo in the Aharonov-Bohm effect, or the generating function of the local densities in the Tonks-Girardeau gas. We present the $\tau$-function as a form-factors series and tackle it from four vantage points: (i) we perform an exact summation and express it in terms of a Fredholm determinant in the thermodynamic limit, (ii) we use bosonization techniques to perform partial summations of soft modes around the Fermi surface to acquire the scaling at zero temperature, (iii) we derive large space and time asymptotic behavior for the thermal Fredholm determinant by relating it to effective form-factors with an asymptotically similar kernel, and (iv) we identify and sum the important basis elements directly through a tailor-made numerical algorithm for finite-entropy states in a free-fermionic Hilbert space. All methods confirm each other. We find that, in addition to the exponential decay in the finite-temperature case the dynamic correlation functions exhibit an extra power law in time, universal over any distribution and time scale.

  7 citations

• Manifold curvature and Ehrenfest forces with a moving basis

  Jessica F. K. Halliday, Emilio Artacho

  SciPost Phys. 12, 020 (2022) · published 13 January 2022 | Toggle abstract · pdf

  Known force terms arising in the Ehrenfest dynamics of quantum electrons and classical nuclei, due to a moving basis set for the former, can be understood in terms of the curvature of the manifold hosting the quantum states of the electronic subsystem. Namely, the velocity-dependent terms appearing in the Ehrenfest forces on the nuclei acquire a geometrical meaning in terms of the intrinsic curvature of the manifold, while Pulay terms relate to its extrinsic curvature.

• Automatic differentiation applied to excitations with projected entangled pair states

  Boris Ponsioen, Fakher F. Assaad, Philippe Corboz

  SciPost Phys. 12, 006 (2022) · published 6 January 2022 | Toggle abstract · pdf

  The excitation ansatz for tensor networks is a powerful tool for simulating the low-lying quasiparticle excitations above ground states of strongly correlated quantum many-body systems. Recently, the two-dimensional tensor network class of infinite entangled pair states gained new ground state optimization methods based on automatic differentiation, which are at the same time highly accurate and simple to implement. Naturally, the question arises whether these new ideas can also be used to optimize the excitation ansatz, which has recently been implemented in two dimensions as well. In this paper, we describe a straightforward way to reimplement the framework for excitations using automatic differentiation, and demonstrate its performance for the Hubbard model at half filling.

  18 citations

• On computing non-equilibrium dynamics following a quench

  Neil J. Robinson, Albertus J. J. M. de Klerk, Jean-Sébastien Caux

  SciPost Phys. 11, 104 (2021) · published 9 December 2021 | Toggle abstract · pdf

  Computing the non-equilibrium dynamics that follows a quantum quench is difficult, even in exactly solvable models. Results are often predicated on the ability to compute overlaps between the initial state and eigenstates of the Hamiltonian that governs time evolution. Except for a handful of known cases, it is generically not possible to find these overlaps analytically. Here we develop a numerical approach to preferentially generate the states with high overlaps for a quantum quench starting from the ground state or an excited state of an initial Hamiltonian. We use these preferentially generated states, in combination with a "high overlap states truncation scheme" and a modification of the numerical renormalization group, to compute non-equilibrium dynamics following a quench in the Lieb-Liniger model. The method is non-perturbative, works for reasonable numbers of particles, and applies to both continuum and lattice systems. It can also be easily extended to more complicated scenarios, including those with integrability breaking.

  5 citations

• The classical two-dimensional Heisenberg model revisited: An $SU(2)$-symmetric tensor network study

  Philipp Schmoll, Augustine Kshetrimayum, Jens Eisert, Román Orús, Matteo Rizzi

  SciPost Phys. 11, 098 (2021) · published 29 November 2021 | Toggle abstract · pdf

  The classical Heisenberg model in two spatial dimensions constitutes one of the most paradigmatic spin models, taking an important role in statistical and condensed matter physics to understand magnetism. Still, despite its paradigmatic character and the widely accepted ban of a (continuous) spontaneous symmetry breaking, controversies remain whether the model exhibits a phase transition at finite temperature. Importantly, the model can be interpreted as a lattice discretization of the $O(3)$ non-linear sigma model in $1+1$ dimensions, one of the simplest quantum field theories encompassing crucial features of celebrated higher-dimensional ones (like quantum chromodynamics in $3+1$ dimensions), namely the phenomenon of asymptotic freedom. This should also exclude finite-temperature transitions, but lattice effects might play a significant role in correcting the mainstream picture. In this work, we make use of state-of-the-art tensor network approaches, representing the classical partition function in the thermodynamic limit over a large range of temperatures, to comprehensively explore the correlation structure for Gibbs states. By implementing an $SU(2)$ symmetry in our two-dimensional tensor network contraction scheme, we are able to handle very large effective bond dimensions of the environment up to $\chi_E^\text{eff} \sim 1500$, a feature that is crucial in detecting phase transitions. With decreasing temperatures, we find a rapidly diverging correlation length, whose behaviour is apparently compatible with the two main contradictory hypotheses known in the literature, namely a finite-$T$ transition and asymptotic freedom, though with a slight preference for the second.

  7 citations

• Parent Hamiltonians of Jastrow wavefunctions

  Mathieu Beau, Adolfo del Campo

  SciPost Phys. Core 4, 030 (2021) · published 18 November 2021 | Toggle abstract · pdf

  We find the complete family of many-body quantum Hamiltonians with ground-state of Jastrow form involving the pairwise product of a pair function in an arbitrary spatial dimension. The parent Hamiltonian generally includes a two-body pairwise potential as well as a three-body potential. We thus generalize the Calogero-Marchioro construction for the three-dimensional case to arbitrary spatial dimensions. The resulting family of models is further extended to include a one-body term representing an external potential, which gives rise to an additional long-range two-body interaction. Using this framework, we provide the generalization to an arbitrary spatial dimension of well-known systems such as the Calogero-Sutherland and Calogero-Moser models. We also introduce novel models, generalizing the McGuire many-body quantum bright soliton solution to higher dimensions and considering ground-states which involve e.g., polynomial, Gaussian, exponential, and hyperbolic pair functions. Finally, we show how the pair function can be reverse-engineered to construct models with a given potential, such as a pair-wise Yukawa potential, and to identify models governed exclusively by three-body interactions.

  5 citations

• Integrating micromagnets and hybrid nanowires for topological quantum computing

  Malcolm J. A. Jardine, John P. T. Stenger, Yifan Jiang, Eline J. de Jong, Wenbo Wang, Ania C. Bleszynski Jayich, Sergey M. Frolov

  SciPost Phys. 11, 090 (2021) · published 12 November 2021 | Toggle abstract · pdf

  Majorana zero modes are expected to arise in semiconductor-superconductor hybrid systems, with potential topological quantum computing applications. One limitation of this approach is the need for a relatively high external magnetic field that should also change direction at the nanoscale. This proposal considers devices that incorporate micromagnets to address this challenge. We perform numerical simulations of stray magnetic fields from different micromagnet configurations, which are then used to solve for Majorana wavefunctions. Several devices are proposed, starting with the basic four-magnet design to align magnetic field with the nanowire and scaling up to nanowire T-junctions. The feasibility of the approach is assessed by performing magnetic imaging of prototype patterns.

  6 citations

• Magnetism of magic-angle twisted bilayer graphene

  Javad Vahedi, Robert Peters, Ahmed Missaoui, Andreas Honecker, Guy Trambly de Laissardière

  SciPost Phys. 11, 083 (2021) · published 27 October 2021 | Toggle abstract · pdf

  We investigate magnetic instabilities in charge-neutral twisted bilayer graphene close to so-called "magic angles" using a combination of real-space Hartree-Fock and dynamical mean-field theories. In view of the large size of the unit cell close to magic angles, we examine a previously proposed rescaling that permits to mimic the same underlying flat minibands at larger twist angles. We find that localized magnetic states emerge for values of the Coulomb interaction $U$ that are significantly smaller than what would be required to render an isolated layer antiferromagnetic. However, this effect is overestimated in the rescaled system, hinting at a complex interplay of flatness of the minibands close to the Fermi level and the spatial extent of the corresponding localized states. Our findings shed new light on perspectives for experimental realization of magnetic states in charge-neutral twisted bilayer graphene.

  15 citations

• Downfolding the Su-Schrieffer-Heeger model

  Arne Schobert, Jan Berges, Tim Wehling, Erik van Loon

  SciPost Phys. 11, 079 (2021) · published 20 October 2021 | Toggle abstract · pdf

  Charge-density waves are responsible for symmetry-breaking displacements of atoms and concomitant changes in the electronic structure. Linear response theories, in particular density-functional perturbation theory, provide a way to study the effect of displacements on both the total energy and the electronic structure based on a single ab initio calculation. In downfolding approaches, the electronic system is reduced to a smaller number of bands, allowing for the incorporation of additional correlation and environmental effects on these bands. However, the physical contents of this downfolded model and its potential limitations are not always obvious. Here, we study the potential-energy landscape and electronic structure of the Su-Schrieffer-Heeger (SSH) model, where all relevant quantities can be evaluated analytically. We compare the exact results at arbitrary displacement with diagrammatic perturbation theory both in the full model and in a downfolded effective single-band model, which gives an instructive insight into the properties of downfolding. An exact reconstruction of the potential-energy landscape is possible in a downfolded model, which requires a dynamical electron-biphonon interaction. The dispersion of the bands upon atomic displacement is also found correctly, where the downfolded model by construction only captures spectral weight in the target space. In the SSH model, the electron-phonon coupling mechanism involves exclusively hybridization between the low- and high-energy bands and this limits the computational efficiency gain of downfolded models.