Surface Patterson function by inversion of low-energy electron diffraction I-V spectra at multiple incident angles.

Area of Science:

• Surface Science
• Materials Science
• Crystallography

Background:

• Low-Energy Electron Diffraction (LEED) is a surface-sensitive technique used to determine the structure of surfaces.
• LEED I-V spectra analysis can be complicated by artifacts, hindering accurate structural determination.
• The Patterson function is a powerful tool for structure determination, but its application to LEED data requires careful handling of artifacts.

Purpose of the Study:

• To develop a method for obtaining an accurate, artifact-free Patterson function from LEED I-V spectra.
• To demonstrate the effectiveness of this method using both experimental and simulated data.
• To quantify the accuracy of interatomic distance determination using the developed method.

Main Methods:

• Transformation of low-energy electron diffraction (LEED) I-V spectra.
• Utilizing spectra from multiple incident angles, including normal incidence.
• Comparison of calculated Patterson function spots with known interatomic distances.

Main Results:

• An accurate Patterson function, free of artifacts, was successfully obtained.
• Errors between Patterson function intensity spots and known interatomic distances were less than 0.01 Å (horizontal) and 0.09 Å (vertical).
• The underlying reason for the high accuracy in the horizontal direction was identified and explained.

Conclusions:

• The developed method provides a reliable way to generate artifact-free Patterson functions from LEED data.
• This technique significantly enhances the accuracy of surface interatomic distance measurements.
• The findings contribute to more precise surface structure analysis using LEED.