Publications

Order by: publication date number of citations

• Thermal pure matrix product state in two dimensions: Tracking thermal equilibrium from paramagnet down to the Kitaev honeycomb spin liquid state

  Matthias Gohlke, Atsushi Iwaki, Chisa Hotta

  SciPost Phys. 15, 206 (2023) · published 24 November 2023 | Toggle abstract · pdf

  We present the first successful application of the matrix product state (MPS) representing a thermal quantum pure state (TPQ) in equilibrium in two spatial dimensions over almost the entire temperature range. We use the Kitaev honeycomb model as a prominent example hosting a quantum spin liquid (QSL) ground state to target the two specific-heat peaks previously solved nearly exactly using the free Majorana fermionic description. Starting from the high-temperature random state, our TPQ-MPS framework on a cylinder precisely reproduces these peaks, showing that the quantum many-body description based on spins can still capture the emergent itinerant Majorana fermions in a ${\mathbb Z}_2$ gauge field. The truncation process efficiently discards the high-energy states, eventually reaching the long-range entangled topological state approaching the exact ground state for a given finite size cluster. An advantage of TPQ-MPS over exact diagonalization or purification-based methods is its lowered numerical cost coming from a reduced effective Hilbert space even at finite temperature.

  2 citations

• Interpolating between the gauge and Schrödinger pictures of quantum dynamics

  Sayak Guha Roy, Kevin Slagle

  SciPost Phys. Core 6, 081 (2023) · published 24 November 2023 | Toggle abstract · pdf

  Although spatial locality is explicit in the Heisenberg picture of quantum dynamics, spatial locality is not explicit in the Schrödinger picture equations of motion. The gauge picture is a modification of Schrödinger's picture such that locality is explicit in the equations of motion. In order to achieve this explicit locality, the gauge picture utilizes (1) a distinct wavefunction associated with each patch of space, and (2) time-dependent unitary connections to relate the Hilbert spaces associated with nearby patches. In this work, we show that by adding an additional spatially-local term to the gauge picture equations of motion, we can effectively interpolate between the gauge and Schrödinger pictures, such that when this additional term has a large coefficient, all of the gauge picture wavefunctions approach the Schrödginer picture wavefunction (and the connections approach the identity).

• No superconductivity in Pb$_9$Cu$_1$(PO$_4$)$_6$O found in orbital and spin fluctuation exchange calculations

  Niklas Witt, Liang Si, Jan M. Tomczak, Karsten Held, Tim O. Wehling

  SciPost Phys. 15, 197 (2023) · published 21 November 2023 | Toggle abstract · pdf

  Finding a material that turns superconducting under ambient conditions has been the goal of over a century of research, and recently Pb$_{10-x}$Cu$_x$(PO$_4$)$_6$O aka LK-99 has been put forward as a possible contestant. In this work, we study the possibility of electronically driven superconductivity in LK-99 also allowing for electron or hole doping. We use an ab initio derived two-band model of the Cu $e_g$ orbitals for which we determine interaction values from the constrained random phase approximation (cRPA). For this two-band model we perform calculations in the fluctuation exchange (FLEX) approach to assess the strength of orbital and spin fluctuations. We scan over a broad range of parameters and enforce no magnetic or orbital symmetry breaking. Even under optimized conditions for superconductivity, spin and orbital fluctuations turn out to be too weak for superconductivity anywhere near to room-temperature. We contrast this finding to non-self-consistent RPA, where it is possible to induce spin singlet d-wave superconductivity at $T_c$ ≥300K if the system is put close enough to a magnetic instability.

  9 citations

• GrassmannTN: A Python package for Grassmann tensor network computations

  Atis Yosprakob

  SciPost Phys. Codebases 20 (2023) · published 16 November 2023 | Toggle abstract · pdf

  We present GrassmannTN, a Python package for the computation of the Grassmann tensor network. The package is built to assist in the numerical computation without the need to input the fermionic sign factor manually. It prioritizes coding readability by designing every tensor manipulating function around the tensor subscripts. The computation of the Grassmann tensor renormalization group and Grassmann isometries using GrassmannTN are given as the use case examples.

  6 citations

• Codebase release 1.3 for GrassmannTN

  Atis Yosprakob

  SciPost Phys. Codebases 20-r1.3 (2023) · published 16 November 2023 | Toggle abstract · src

  We present GrassmannTN, a Python package for the computation of the Grassmann tensor network. The package is built to assist in the numerical computation without the need to input the fermionic sign factor manually. It prioritizes coding readability by designing every tensor manipulating function around the tensor subscripts. The computation of the Grassmann tensor renormalization group and Grassmann isometries using GrassmannTN are given as the use case examples.

  2 citations

• Exploring the vortex phase diagram of Bogoliubov-de Gennes disordered superconductors

  Bo Fan (范波), Antonio Miguel García García

  SciPost Phys. 15, 196 (2023) · published 15 November 2023 | Toggle abstract · pdf

  We study the interplay of vortices and disorder in a two-dimensional disordered superconductor at zero temperature described by the Bogoliubov-de Gennes (BdG) self-consistent formalism for lattices of sizes up to 100×100 where the magnetic flux is introduced by the Peierls substitution. We model substantially larger lattice size than in previous approaches (≤36×36) which has allowed us to identify a rich phase diagram as a function of the magnetic flux and the disorder strength. For sufficiently weak disorder, and not too strong magnetic flux, we observe a slightly distorted Abrikosov triangular vortex lattice. An increase in the magnetic flux leads to an unexpected rectangular vortex lattice. A further increase in disorder, or flux, gradually destroys the lattice symmetry though strong vortex repulsion persists. An even stronger disorder leads to deformed single vortices with an inhomogeneous core. As the number of vortices increases, vortex overlap becomes more frequent. Finally, we show that global phase coherence is a feature of all these phases and that disorder enhances substantially the critical magnetic flux with respect to the clean limit with a maximum on the metallic side of the insulating transition.

  2 citations

• Quasi-particle functional renormalisation group calculations in the two-dimensional t-t'-Hubbard model

  Daniel Rohe

  SciPost Phys. 15, 192 (2023) · published 13 November 2023 | Toggle abstract · pdf

  We extend and apply a recently introduced quasi-particle functional renormalisation group scheme to the two-dimensional Hubbard model with next-nearest-neighbour hopping and away from half filling. We confirm the generation of superconducting correlations in some regions of the phase diagram, but also find that the inclusion of self-energy feedback by means of a decreasing quasi-particle weight can suppress superconducting tendencies more than anti-ferromagnetic correlations by which they are generated. As a supplement, we provide sample results for the self-energy in second-order perturbation theory and address some conceptual matters.

  1 citation

• Nevanlinna.jl: A Julia implementation of Nevanlinna analytic continuation

  Kosuke Nogaki, Jiani Fei, Emanuel Gull, Hiroshi Shinaoka

  SciPost Phys. Codebases 19 (2023) · published 13 November 2023 | Toggle abstract · pdf

  We introduce a Julia implementation of the recently proposed Nevanlinna analytic continuation method. The method is based on Nevanlinna interpolants and inherently preserves the causality of a response function due to its construction. For theoretical calculations without statistical noise, this continuation method is a powerful tool to extract real-frequency information from numerical input data on the Matsubara axis. This method has been applied to first-principles calculations of correlated materials. This paper presents its efficient and full-featured open-source implementation of the method including the Hamburger moment problem and smoothing.

  6 citations

• Codebase release 1.0 for Nevanlinna.jl

  Kosuke Nogaki, Jiani Fei, Emanuel Gull, Hiroshi Shinaoka

  SciPost Phys. Codebases 19-r1.0 (2023) · published 13 November 2023 | Toggle abstract · src

  We introduce a Julia implementation of the recently proposed Nevanlinna analytic continuation method. The method is based on Nevanlinna interpolants and inherently preserves the causality of a response function due to its construction. For theoretical calculations without statistical noise, this continuation method is a powerful tool to extract real-frequency information from numerical input data on the Matsubara axis. This method has been applied to first-principles calculations of correlated materials. This paper presents its efficient and full-featured open-source implementation of the method including the Hamburger moment problem and smoothing.

  3 citations

• A quantum register using collective excitations in a Bose-Einstein condensate

  Elisha Haber, Zekai Chen, Nicholas P. Bigelow

  SciPost Phys. 15, 188 (2023) · published 8 November 2023 | Toggle abstract · pdf

  A qubit made up of an ensemble of atoms is attractive due to its resistance to atom losses. In this work, we consider an experimentally feasible protocol to coherently load a spin-dependent optical lattice from a spatially overlapping Bose-Einstein condensate. Identifying each lattice site as a qubit, with an empty or filled site as the qubit basis, we discuss how high-fidelity single-qubit operations, two-qubit gates between arbitrary pairs of qubits, and nondestructive measurements could be performed. In this setup, the effect of atom losses has been mitigated, the atoms never need to be removed from the ground state manifold, and separate storage and computational bases for the qubits are not required, all of which can be significant sources of decoherence in many other types of atomic qubits.

  2 citations