Publications

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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 | · 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.

4 citations
A symmetry principle for gauge theories with fractons

Yuji Hirono, Minyoung You, Stephen Angus, Gil Young Cho

SciPost Phys. 16, 050 (2024) · published 20 February 2024 | · pdf

Fractonic phases are new phases of matter that host excitations with restricted mobility. We show that a certain class of gapless fractonic phases are realized as a result of spontaneous breaking of continuous higher-form symmetries whose conserved charges do not commute with spatial translations. We refer to such symmetries as nonuniform higher-form symmetries. These symmetries fall within the standard definition of higher-form symmetries in quantum field theory, and the corresponding symmetry generators are topological. Worldlines of particles are regarded as the charged objects of 1-form symmetries, and mobility restrictions can be implemented by introducing additional 1-form symmetries whose generators do not commute with spatial translations. These features are realized by effective field theories associated with spontaneously broken nonuniform 1-form symmetries. At low energies, the theories reduce to known higher-rank gauge theories such as scalar/vector charge gauge theories, and the gapless excitations in these theories are interpreted as Nambu-Goldstone modes for higher-form symmetries. Due to the nonuniformity of the symmetry, some of the modes acquire a gap, which is the higher-form analogue of the inverse Higgs mechanism of spacetime symmetries. The gauge theories have emergent nonuniform magnetic symmetries, and some of the magnetic monopoles become fractonic. We identify the 't Hooft anomalies of the nonuniform higher-form symmetries and the corresponding bulk symmetry-protected topological phases. By this method, the mobility restrictions are fully determined by the choice of the commutation relations of charges with translations. This approach allows us to view existing (gapless) fracton models such as the scalar/vector charge gauge theories and their variants from a unified perspective and enables us to engineer theories with desired mobility restrictions.

12 citations
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 | · 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.

3 citations
Nonlinear response in diffusive systems

Luca V. Delacrétaz, Ruchira Mishra

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

11 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 | · 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
Codebase release 0.5 for divERGe

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

SciPost Phys. Codebases 26-r0.5 (2024) · published 8 February 2024 | · src

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.

1 citation
divERGe implements various Exact Renormalization Group examples

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

SciPost Phys. Codebases 26 (2024) · published 8 February 2024 | · 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
Codebase release 0.0 for DFT2kp

João Victor V. Cassiano, Augusto de Lelis Araújo, Paulo E. Faria Junior, Gerson J. Ferreira

SciPost Phys. Codebases 25-r0.0 (2024) · published 5 February 2024 | · src

The $k\cdot p$ method, combined with group theory, is an efficient approach to obtain the low energy effective Hamiltonians of crystalline materials. Although the Hamiltonian coefficients are written as matrix elements of the generalized momentum operator $\pi= p+ p_{SOC}$ (including spin-orbit coupling corrections), their numerical values must be determined from outside sources, such as experiments or ab initio methods. Here, we develop a code to explicitly calculate the Kane (linear in crystal momentum) and Luttinger (quadratic in crystal momentum) parameters of $k\cdot p$ effective Hamiltonians directly from ab initio wavefunctions provided by Quantum ESPRESSO. Additionally, the code analyzes the symmetry transformations of the wavefunctions to optimize the final Hamiltonian. This is an optional step in the code, where it numerically finds the unitary transformation $U$ that rotates the basis towards an optimal symmetry-adapted representation informed by the user. Throughout the paper, we present the methodology in detail and illustrate the capabilities of the code applying it to a selection of relevant materials. Particularly, we show a "hands-on" example of how to run the code for graphene (with and without spin-orbit coupling). The code is open source and available at https://gitlab.com/dft2kp/dft2kp.

2 citations
DFT2kp: Effective kp models from ab-initio data

João Victor V. Cassiano, Augusto de Lelis Araújo, Paulo E. Faria Junior, Gerson J. Ferreira

SciPost Phys. Codebases 25 (2024) · published 5 February 2024 | · pdf

The $k\cdot p$ method, combined with group theory, is an efficient approach to obtain the low energy effective Hamiltonians of crystalline materials. Although the Hamiltonian coefficients are written as matrix elements of the generalized momentum operator $\pi= p+ p_{SOC}$ (including spin-orbit coupling corrections), their numerical values must be determined from outside sources, such as experiments or ab initio methods. Here, we develop a code to explicitly calculate the Kane (linear in crystal momentum) and Luttinger (quadratic in crystal momentum) parameters of $k\cdot p$ effective Hamiltonians directly from ab initio wavefunctions provided by Quantum ESPRESSO. Additionally, the code analyzes the symmetry transformations of the wavefunctions to optimize the final Hamiltonian. This is an optional step in the code, where it numerically finds the unitary transformation $U$ that rotates the basis towards an optimal symmetry-adapted representation informed by the user. Throughout the paper, we present the methodology in detail and illustrate the capabilities of the code applying it to a selection of relevant materials. Particularly, we show a "hands-on" example of how to run the code for graphene (with and without spin-orbit coupling). The code is open source and available at https://gitlab.com/dft2kp/dft2kp.

6 citations
Ideal fracton superfluids

Jay Armas, Emil Have

SciPost Phys. 16, 039 (2024) · published 30 January 2024 | · pdf

We investigate the thermodynamics of equilibrium thermal states and their near-equilibrium dynamics in systems with fractonic symmetries in arbitrary curved space. By explicitly gauging the fracton algebra we obtain the geometry and gauge fields that field theories with conserved dipole moment couple to. We use the resultant fracton geometry to show that it is not possible to construct an equilibrium partition function for global thermal states unless part of the fractonic symmetries is spontaneously broken. This leads us to introduce two classes of fracton superfluids with conserved energy and momentum, namely $p$-wave and $s$-wave fracton superfluids. The latter phase is an Aristotelian superfluid at ideal order but with a velocity constraint and can be split into two separate regimes: The U(1) fracton superfluid and the pinned $s$-wave superfluid regimes. For each of these classes and regimes we formulate a hydrodynamic expansion and study the resultant modes. We find distinctive features of each of these phases and regimes at ideal order in gradients, without introducing dissipative effects. In particular we note the appearance of a sound mode for $s$-wave fracton superfluids. We show that previous work on fracton hydrodynamics falls into these classes. Finally, we study ultra-dense $p$-wave fracton superfluids with a large kinetic mass in addition to studying the thermodynamics of ideal Aristotelian superfluids.

16 citations

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