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Updated: Sep 11, 2025
09:00
Experimental Methods for Spin- and Angle-Resolved Photoemission Spectroscopy Combined with Polarization-Variable Laser
Published on: June 28, 2018
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Lippmann-Schwinger Approach for Accurate Photoelectron Wave Functions and Angle-Resolved Photoemission Spectra from
Ji Hoon Ryoo1, Cheol-Hwan Park1
1Seoul National University, Seoul National University, Department of Physics and Astronomy, Seoul 08826, Korea and Center for Theoretical Physics, Seoul 08826, Korea.
Physical Review Letters
|August 18, 2025
Summary
We developed a simple method to calculate photoelectron wave functions, enhancing density-functional theory simulations for quantum materials. This advance aids researchers using angle-resolved photoemission spectroscopy (ARPES) for material characterization.
Area of Science:
- Computational Physics
- Materials Science
- Quantum Chemistry
Background:
- Angle-resolved photoemission spectroscopy (ARPES) is a key experimental tool for characterizing quantum materials.
- Accurate theoretical calculations of photoelectron wave functions are crucial for interpreting ARPES data.
- Existing methods may be computationally intensive or difficult to integrate with standard electronic structure codes.
Purpose of the Study:
- To present a novel, user-friendly method for calculating photoelectron wave functions.
- To enable seamless integration of this method with standard density-functional theory (DFT) packages.
- To facilitate "do-it-yourself" ARPES simulations for researchers.
Main Methods:
- The method is based on the Lippmann-Schwinger equation.
- It naturally incorporates the required boundary conditions for the final photoelectron state.
- It is designed for straightforward integration with wave-function-based DFT packages.
Main Results:
- Calculated results show good agreement with experimental ARPES data for graphene and WSe2.
- The method accurately reproduces the photon-energy and polarization dependence of ARPES spectra.
- It successfully models phenomena like the pseudospin-induced dark corridor and circular dichroism.
Conclusions:
- The presented method offers a simple and effective approach to ARPES simulations.
- It significantly lowers the barrier for researchers to perform "do-it-yourself" ARPES calculations.
- This work is vital for advancing the study of quantum materials using ARPES.
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