Codebase release 1.0 for calcQPI

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 <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"> <mml:mi>k</mml:mi> </mml:math> -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.

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Publication Details

Journal
SciPost Physics Codebases
Published
2025-11-05
DOI
https://doi.org/10.21468/scipostphyscodeb.61-r1.0
Citations
1
Primary Topic
Advanced Electron Microscopy Techniques and Applications
Type
article
Field-Weighted Citation Impact
2.55
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article

Codebase release 1.0 for calcQPI

Carolina A. Marques, Peter Wahl, Luke C. Rhodes
1 citations
SciPost Physics Codebases
Advanced Electron Microscopy Techniques and Applications
2.55
article

Codebase release 1.0 for calcQPI

Carolina A. Marques, Peter Wahl, Luke C. Rhodes
article en
1 citations

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 k <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"> <mml:mi>k</mml:mi> </mml:math> -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.

SciPost Physics Codebases
University of Bonn (DE), University of St Andrews (GB)
Openalex Percentile: Top 9%
Advanced Electron Microscopy Techniques and Applications
2.55
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