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Research Data supporting "Large-Scale Tight-Binding Hamiltonians of the Eightfold Quasicrystalline Potential (8QC)"

Repository URI

https://www.repository.cam.ac.uk/handle/1810/373617

Repository DOI

https://doi.org/10.17863/CAM.111974
Thumbnail Image

Files

Readme.txt (2.14 KB)
 PHY_US Group - Large Scale Dataset 8QC.zip (45.15 GB)

Type

Dataset

Change log

Authors

Gottlob, Emmanuel  ORCID logo  https://orcid.org/0000-0003-3166-5497

Description

This dataset contains the Tight-binding (TB) Hamiltonians describing the lowest band of the eightfold quasicrystalline potential. The TB Hamiltonians were constructed using localised Wannier functions generated using an extension of the methods described in [1], whereby the finite-difference methods was replaced with the sinc discrete variable representation to alleviate the memory usage of the Wannier functions and increase the maximum system size to around 12000 sites.

The TB Hamiltonians describe a circular patch of diameter 70 λ. The lattice depths were generated in steps of 0.125 Er. The parameters used for this dataset were a real-space grid spacing δx = 0.1λ, and a cutoff radius for generating the Wannier functions of R = 4λ.

Please refer to Readme file for more details of file collection and organisation.

[1] E. Gottlob and U. Schneider, Hubbard models for quasicrystalline potentials, Phys. Rev. B 107, 144202.

Version

Software / Usage instructions

The dataset is ordered according the each lattice depths in the interval V_0 = [1,6] E_r in steps of 0.125 E_r. Each lattice depth contains the following files: hamiltonian.npy: n_sites x n_sites array containing the TB Hamiltonian. Onsite energies are diagonal elements. Tunneling amplitudes are off-diagonal elements. lattice_sites.npy: n_sites x 2 array containing the real-space coordinates of all lattice sites (in units of λ). octagon.npy: n_sites x 2 array containing the configuration-space coordinates of all lattice sites (in units of λ). phis.npy: 4 x 1 array containing the phases of the lattice beams.

Keywords

Quasicrystals, Tight-binding, Wannier functions

Publisher

Rights and licensing

Attribution 4.0 International (CC BY 4.0)
Except where otherwised noted, this item's license is described as Attribution 4.0 International (CC BY 4.0)
Sponsorship
EPSRC (2437573)
European Research Council (716378)
Engineering and Physical Sciences Research Council (EP/P009565/1)
Engineering and Physical Sciences Research Council (EP/R044627/1)

Collections

Research Data - Physics