English

calcQPI: A versatile tool to simulate quasiparticle interference

Strongly Correlated Electrons 2025-11-12 v3 Mesoscale and Nanoscale Physics Superconductivity

Abstract

Quasiparticle interference imaging (QPI) provides a route to characterize electronic structure from real space images acquired using scanning tunneling microscopy. It emerges due to scattering of electrons at defects in the material. The QPI patterns encode details of the kk-space electronic structure and its spin and orbital texture. Recovering this information from a measurement of QPI is non-trivial, requiring modelling not only of the dominant scattering vectors, but also the overlap of the wave functions with the tip of the microscope. While, in principle, it is possible to model QPI from density functional theory (DFT) calculations, for many quantum materials it is more desirable to model the QPI from a tight-binding model, where inaccuracies of the DFT calculation can be corrected. Here, we introduce an efficient code to simulate quasiparticle interference from tight-binding models using the continuum Green's function method.

Keywords

Cite

@article{arxiv.2507.22137,
  title  = {calcQPI: A versatile tool to simulate quasiparticle interference},
  author = {Peter Wahl and Luke C. Rhodes and Carolina A. Marques},
  journal= {arXiv preprint arXiv:2507.22137},
  year   = {2025}
}

Comments

30 pages including appendix, 12 figures, accompanies public release of calcQPI code at https://github.com/gpwahl/calcqpi-release, published version

R2 v1 2026-07-01T04:24:43.169Z