Publications

Order by: publication date number of citations

• 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.

  7 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.

  5 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.

  1 citation

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

  Bo Fan (范波), Antonio Miguel Garcia Garcia

  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.

  1 citation

• 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.

• 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.

  5 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.

  2 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.

• Out of equilibrium many-body expansion dynamics of strongly interacting bosons

  Rhombik Roy, Barnali Chakrabarti, Arnaldo Gammal

  SciPost Phys. Core 6, 073 (2023) · published 3 November 2023 | Toggle abstract · pdf

  We solve the Schrödinger equation from first principles to investigate the many-body effects in the expansion dynamics of one-dimensional repulsively interacting bosons released from a harmonic trap. We utilize the multiconfigurational time-dependent Hartree method for bosons (MCTDHB) to solve the many-body Schrödinger equation at high level of accuracy. The MCTDHB basis sets are explicitly time-dependent and optimised by variational principle. We probe the expansion dynamics by three key measures; time evolution of one-, two- and three-body densities. We observe when the mean-field theory results to unimodal expansion, the many-body calculation exhibits trimodal expansion dynamics. The many-body features how the initially fragmented bosons independently spreads out with time whereas the mean-field pictures the expansion of the whole cloud. We also present the three different time scale of dynamics of the inner core, outer core and the cloud as a whole. We analyze the key role played by the dynamical fragmentation during expansion. A Strong evidence of the many-body effects is presented in the dynamics of two- and three-body densities which exhibit correlation hole and pronounced delocalization effect.

  2 citations

• Interference dynamics of matter-waves of SU($N$) fermions

  Wayne Jordan Chetcuti, Andreas Osterloh, Luigi Amico, Juan Polo

  SciPost Phys. 15, 181 (2023) · published 30 October 2023 | Toggle abstract · pdf

  Interacting N-component fermions spatially confined in ring-shaped potentials display specific coherence properties. The orbital angular momentum per particle of such systems can be quantized to fractional values specifically depending on the particle-particle interaction. Here we demonstrate how to monitor the state of the system through homodyne (momentum distribution) and self-heterodyne system's expansion. For homodyne protocols, the momentum distribution is affected by the particle statistics in two distinctive ways. The first effect is a purely statistical one: at zero interactions, the characteristic hole in the momentum distribution around the momentum k=0 opens up once half of the SU(N) Fermi sphere is displaced. The second effect originates from the interaction: The fractionalization in the interacting system manifests itself by an additional "delay" in the flux for the occurrence of the hole, that now becomes a characteristic minimum at k=0. We demonstrate that the angular momentum fractional quantization is reflected in the self-heterodyne interference as specific dislocations in interferograms. Our analysis demonstrates how the study of the interference fringes grants us access to both number of particles and number of components of SU(N) fermions.

  2 citations