calcQPI: A versatile tool to simulate quasiparticle interference

Fuente: arXiv
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Main Authors: Wahl, Peter, Rhodes, Luke C., Marques, Carolina A.
Format: Preprint
Published: 2025
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author Wahl, Peter
Rhodes, Luke C.
Marques, Carolina A.
author_facet Wahl, Peter
Rhodes, Luke C.
Marques, Carolina A.
contents 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 $k$-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.
format Preprint
id arxiv_https___arxiv_org_abs_2507_22137
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle calcQPI: A versatile tool to simulate quasiparticle interference
Wahl, Peter
Rhodes, Luke C.
Marques, Carolina A.
Strongly Correlated Electrons
Mesoscale and Nanoscale Physics
Superconductivity
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 $k$-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.
title calcQPI: A versatile tool to simulate quasiparticle interference
topic Strongly Correlated Electrons
Mesoscale and Nanoscale Physics
Superconductivity
url https://arxiv.org/abs/2507.22137