Advanced search
2 files | 688.19 KB Add to list

An ADHIE-TDDFT method for the EM/QM co-simulation of coupled 1-D nanowires

Author
Organization
Abstract
Over the past years, the rapid increase in device functionality and miniaturization has stimulated the demand for novel topologies and materials. One such trend is the emergence of one-dimensional nanostructures in electronic components. Given the embryonic stage of these applications, adequate modeling tools should be developed to investigate the structures' intricate dynamics. This encompasses the interplay of the charge carriers, described by the laws of quantum mechanics (QM), with external and self-generated electromagnetic (EM) fields. However, the EM/QM co-simulation of those systems is challenging owing to the multiscale and multiphysics aspects of the problem. In this work, we improve upon existing modeling techniques by invoking an alternating-direction hybrid implicit-explicit (ADHIE) scheme for the EM potentials. The dynamics of the charge carriers in the quantum system are described through the time-dependent density functional theory (TDDFT) formalism, discretized on the real-space grid. The new technique is put to the test by considering the near-field coupling between two nanowires. Compared with a conventional Yee-based approach, the proposed ADHIE-TDDFT method demonstrates similar accuracy, while reducing the computation time by more than a factor of five.

Downloads

  • 8369 acc.pdf
    • full text (Accepted manuscript)
    • |
    • open access
    • |
    • PDF
    • |
    • 296.49 KB
  • (...).pdf
    • full text (Published version)
    • |
    • UGent only
    • |
    • PDF
    • |
    • 391.70 KB

Citation

Please use this url to cite or link to this publication:

MLA
Torreele, Maxim, et al. “An ADHIE-TDDFT Method for the EM/QM Co-Simulation of Coupled 1-D Nanowires.” 2023 Photonics & Electromagnetics Research Symposium (PIERS), IEEE, 2023, pp. 314–19, doi:10.1109/piers59004.2023.10221322.
APA
Torreele, M., Decleer, P., & Vande Ginste, D. (2023). An ADHIE-TDDFT method for the EM/QM co-simulation of coupled 1-D nanowires. 2023 Photonics & Electromagnetics Research Symposium (PIERS), 314–319. https://doi.org/10.1109/piers59004.2023.10221322
Chicago author-date
Torreele, Maxim, Pieter Decleer, and Dries Vande Ginste. 2023. “An ADHIE-TDDFT Method for the EM/QM Co-Simulation of Coupled 1-D Nanowires.” In 2023 Photonics & Electromagnetics Research Symposium (PIERS), 314–19. IEEE. https://doi.org/10.1109/piers59004.2023.10221322.
Chicago author-date (all authors)
Torreele, Maxim, Pieter Decleer, and Dries Vande Ginste. 2023. “An ADHIE-TDDFT Method for the EM/QM Co-Simulation of Coupled 1-D Nanowires.” In 2023 Photonics & Electromagnetics Research Symposium (PIERS), 314–319. IEEE. doi:10.1109/piers59004.2023.10221322.
Vancouver
1.
Torreele M, Decleer P, Vande Ginste D. An ADHIE-TDDFT method for the EM/QM co-simulation of coupled 1-D nanowires. In: 2023 Photonics & Electromagnetics Research Symposium (PIERS). IEEE; 2023. p. 314–9.
IEEE
[1]
M. Torreele, P. Decleer, and D. Vande Ginste, “An ADHIE-TDDFT method for the EM/QM co-simulation of coupled 1-D nanowires,” in 2023 Photonics & Electromagnetics Research Symposium (PIERS), Prague, Czech Republic, 2023, pp. 314–319.
@inproceedings{01H9QJ6B03Z9GSNXBBS5293SJ7,
  abstract     = {{Over the past years, the rapid increase in device functionality and miniaturization has stimulated the demand for novel topologies and materials. One such trend is the emergence of one-dimensional nanostructures in electronic components. Given the embryonic stage of these applications, adequate modeling tools should be developed to investigate the structures' intricate dynamics. This encompasses the interplay of the charge carriers, described by the laws of quantum mechanics (QM), with external and self-generated electromagnetic (EM) fields. However, the EM/QM co-simulation of those systems is challenging owing to the multiscale and multiphysics aspects of the problem. In this work, we improve upon existing modeling techniques by invoking an alternating-direction hybrid implicit-explicit (ADHIE) scheme for the EM potentials. The dynamics of the charge carriers in the quantum system are described through the time-dependent density functional theory (TDDFT) formalism, discretized on the real-space grid. The new technique is put to the test by considering the near-field coupling between two nanowires. Compared with a conventional Yee-based approach, the proposed ADHIE-TDDFT method demonstrates similar accuracy, while reducing the computation time by more than a factor of five.}},
  author       = {{Torreele, Maxim and Decleer, Pieter and Vande Ginste, Dries}},
  booktitle    = {{2023 Photonics & Electromagnetics Research Symposium (PIERS)}},
  isbn         = {{9798350312843}},
  issn         = {{2831-5804}},
  language     = {{eng}},
  location     = {{Prague, Czech Republic}},
  pages        = {{314--319}},
  publisher    = {{IEEE}},
  title        = {{An ADHIE-TDDFT method for the EM/QM co-simulation of coupled 1-D nanowires}},
  url          = {{http://doi.org/10.1109/piers59004.2023.10221322}},
  year         = {{2023}},
}

Altmetric
View in Altmetric