The topwave library is a python package to quickly set up single-particle models and classify their band topological phases.

The library is designed to be easy to use and read. It allows even new-comers to calculate topological properties of e.g. electron or magnon spectra with only a few lines of code. The package interfaces with the extensive Python Materials Genomic library helping the user to quickly set up both easy toy models and more realistic simulations for materials respecting the symmetries of the crystal structure.

Disclaimer

Topwave is still under development. This is only an alpha version. Please report bugs.

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Features

• Fast-assembly of crystal structures using crystallographic data or pymatgen

• Use of space group symmetries to quickly create models and interactions

• Magnon Dispersion and Neutron Scattering using linear spin wave theory

• Electronic band structures of tight binding models

• Computation of topological invariants using Wilson loops

• Supercell calculations for magnetic relaxation and topological surface states

• Easy construction of twisted structures

Roadmap

• Multi Orbital Tight Binding Models

• Higher Order Topological Invariants

• BdG Hamiltonians

• Self-Consistent Mean Field Calculations

• Wannier90 Interface

• Model Construction based on Irreducible Representations.

Acknowledgements

This library is being developed within my research as a PhD student of the Max Planck Institute for Solid State Research in Stuttgart, Germany and the University of British Columbia, Canada within the International PhD Program in Quantum Materials. I would like to thank Xianxin Wu, Jean-Claude Passy and my supervisor Andreas Schnyder. Also thanks to Luis Mantilla who helped me setting up the documentation.

I used the PythTB and SpinW libraries for testing and to get an idea of what kind of user interface I want.

Topwave interfaces with Python Materials Genomic library which provides an extensive toolbox for everything related to crystallography.

Citation

If this library was useful to you in your research, please cite us:

@software{Heinsdorf_Topwave_2023,
   title = {{topwave: Toolbox for Topology of Single-Particle Spectra}},
   author = {Heinsdorf, Niclas},
   year = {2023},
   url = {https://github.com/nheinsdorf/topwave},
}

Contributing

If you would like to contribute to this project, please feel free to open an issue or pull request.

Used topwave in a paper?

Contact me and we can include your work as an example file in the documentation.

Please see the contributing guidelines for more information.

Topwave in Research

Stable Bosonic Topological Edge Modes in the Presence of Many-Body Interaction

14. Heinsdorf, DG. Joshi, H. Katsura, AP. Schnyder - arXiv:

https://arxiv.org/abs/2309.15113

IrF4: From tetrahedral compass model to topological semimetal

C Shang, O. Ganter, N. Heinsdorf, SM. Winter - Phys. Rev. B, 2023 - APS

https://doi.org/10.1103/PhysRevB.107.125111