Publications using the hubbard package

This implementation of the hubbard package has been used in the listed publications below.

  1. J. Li, S. Sanz, M. Corso, D.J. Choi, D. Pena, T. Frederiksen and J.I. Pascual, Single spin localization and manipulation in graphene open-shell nanostructures, Nature Communications 10, 200 (2019)

  2. J. Li, S. Sanz, J. Castro-Esteban, M. Vilas-Varela, N. Friedrich, T. Frederiksen, D. Peña, J. I. Pascual, Uncovering the Triplet Ground State of Triangular Graphene Nanoflakes Engineered with Atomic Precision on a Metal Surface, Phys. Rev. Lett. 124, 177201 (2020)

  3. J. Li, S. Sanz, N. Merino-Díez, M. Vilas-Varela, A. Garcia-Lekue, M. Corso, D. G. de Oteyza, T. Frederiksen, D. Peña, and J. I. Pascual, Topological phase transition in chiral graphene nanoribbons: from edge bands to end states Nature Communications 12, 5538 (2021)

  4. J. Hieulle, S. Castro, N. Friedrich, A. Vegliante, F. Romero Lara, S. Sanz, D. Rey, M. Corso, T. Frederiksen, J. Ignacio Pascual, D. Peña, On-Surface Synthesis and Collective Spin Excitations of a Triangulene-Based Nanostar Angewandte Chemie International Edition 60 (48), 25224-25229 (2021)

  5. T. Wang, S. Sanz, J. Castro-Esteban, J. Lawrence, A. Berdonces-Layunta, M. S. G. Mohammed, M. Vilas-Varela, M. Corso, D. Peña, T. Frederiksen, and D. G. de Oteyza, Magnetic Interactions Between Radical Pairs in Chiral Graphene Nanoribbons Nano Letters 22, 1, 164-171 (2022)

  6. S. Sanz, N. Papior, G. Giedke, D. Sánchez-Portal, M. Brandbyge, T. Frederiksen, A spin-polarizing electron beam splitter from crossed graphene nanoribbons Phys. Rev. Lett. 129, 037701 (2022)

  7. T. Frederiksen, D. G. de Oteyza, Carbon-based nanostructures as a versatile platform for tunable π-magnetism J. Phys.: Condens. Matter 34 443001 (2022)

  8. S. Sengupta, T. Frederiksen, and G. Giedke, Mach–Zehnder-like interferometry with graphene nanoribbon networks Phys. Rev. B 107, 224433 (2023)

  9. S. Sanz, N. Papior, G. Giedke, D. Sánchez-Portal, M. Brandbyge, T. Frederiksen, Mach–Zehnder-like interferometry with graphene nanoribbon networks J. Phys.: Condens. Matter 35 374001 (2023)

  10. J. Brede, N. Merino-Díez, A. Berdonces, S. Sanz, A. Domínguez-Celorrio, J. Lobo-Checa, M. Vilas-Varela, D. Peña, T. Frederiksen, J. I. Pascual, D. G. de Oteyza, D. Serrate, Detecting the spin-polarization of edge states in graphene nanoribbons Nature Communications 14, 6677 (2023)

  11. A. Vegliante, S. Fernández, R. Ortiz, M. Vilas-Varela, T. Y. Baum, N. Friedrich, F. Romero-Lara, A. Aguirre, K. Vaxevani, D. Wang, C. Garcia Fernandez, H. S. J. van der Zant, T. Frederiksen, Diego Peña, J. I. Pascual, Tuning the Spin Interaction in Nonplanar Organic Diradicals through Mechanical Manipulation ACS Nano, 18, 26514–26521 (2024)

  12. S. Sanz, Géza Giedke, Daniel Sánchez-Portal, T. Frederiksen, Electron beam-splitting effect with crossed zigzag graphene nanoribbons in high-spin metallic states APL Quantum 1, 046122 (2024)

  13. A. Domínguez-Celorrio, Leonard Edens, S. Sanz, M. Vilas-Varela, Jose Martinez-Castro, D. Peña, V. Langlais, T. Frederiksen, J. I. Pascual, D. Serrate, Systematic modulation of charge and spin in graphene nanoribbons on MgO Nature Communications 16, 5632 (2025)

  14. L. Edens, F. Romero-Lara, T. Sai, K. Biswas, M. Vilas-Varela, T. Frederiksen, D. Peña, F. Schulz, J. I. Pascual, Spin and Charge Control of Topological End States in Chiral Graphene Nanoribbons on a 2D Ferromagnet Advanced Materials, e10753 (2025)

  15. S. Sanz, D. Sánchez-Portal, Predicting interface and spin states in armchair graphene nanoribbon junctions Submitted (2025) arXiv:2507.14065 [cond-mat.mes-hall]

Citing the hubbard package

If hubbard is used to produce scientific contributions please include citations, in addition to sisl, to the following Zenodo DOI:

@misc{dipc_hubbard,
  author       = {Sanz Wuhl, Sofia and
                  Papior, Nick and
                  Brandbyge, Mads and
                  Frederiksen, Thomas},
  title        = {hubbard: v<fill-version>},
  year         = {2023},
  doi          = {10.5281/zenodo.4748765},
  url          = {https://doi.org/10.5281/zenodo.4748765}
}

and also to the following works:

  • For molecules/periodic structures

@Article{Li2019,
  author={Li, Jingcheng
  and Sanz, Sofia
  and Corso, Martina
  and Choi, Deung Jang
  and Pe{\~{n}}a, Diego
  and Frederiksen, Thomas
  and Pascual, Jose Ignacio},
  title={Single spin localization and manipulation in graphene open-shell nanostructures},
  journal={Nature Communications},
  year={2019},
  month={Jan},
  day={14},
  volume={10},
  number={1},
  pages={200},
  issn={2041-1723},
  doi={10.1038/s41467-018-08060-6},
  url={https://doi.org/10.1038/s41467-018-08060-6}
}

and/or this

@article{Li2020,
  title = {Uncovering the Triplet Ground State of Triangular Graphene Nanoflakes Engineered with Atomic Precision on a Metal Surface},
  author = {Li, Jingcheng
  and Sanz, Sofia
  and Castro-Esteban, Jesus
  and Vilas-Varela, Manuel
  and Friedrich, Niklas
  and Frederiksen, Thomas
  and Pe\~na, Diego
  and Pascual, Jose Ignacio},
  journal = {Phys. Rev. Lett.},
  volume = {124},
  issue = {17},
  pages = {177201},
  numpages = {6},
  year = {2020},
  month = {Apr},
  publisher = {American Physical Society},
  doi = {10.1103/PhysRevLett.124.177201},
  url = {https://link.aps.org/doi/10.1103/PhysRevLett.124.177201}
}

  • For open boundary conditions:

@article{PhysRevLett.129.037701,
  title = {Spin-Polarizing Electron Beam Splitter from Crossed Graphene                             Nanoribbons},
  author = {Sanz, Sofia and Papior, Nick and Giedke, G\'eza and S\'anchez-Portal, Daniel and Brandbyge, Mads and Frederiksen, Thomas},
  journal = {Phys. Rev. Lett.},
  volume = {129},
  issue = {3},
  pages = {037701},
  numpages = {7},
  year = {2022},
  month = {Jul},
  publisher = {American Physical Society},
  doi = {10.1103/PhysRevLett.129.037701},
  url = {https://link.aps.org/doi/10.1103/PhysRevLett.129.037701}
}