A Crystallography-Mediated Reconstruction (CMR) Approach for Atom Probe Tomography: Solution for a Singleton Pole

Area of Science:

• Materials Science
• Nanotechnology
• Crystallography

Background:

• Accurate spatial measurements from atom probe tomography (APT) reconstructions are essential for analyzing nanostructural features.
• Crystallographic information in APT data can calibrate reconstructions, but existing methods are complex, time-consuming, and limited in applicability.
• Previous techniques required indexing multiple crystallographic poles and manual adjustments, proving error-prone and unsuitable for materials with limited crystallographic information.

Purpose of the Study:

• To develop a more broadly applicable and efficient crystallographic calibration method for atom probe tomography reconstructions.
• To overcome the limitations of previous multi-pole indexing approaches.
• To enable accurate quantitative spatial measurements from a wider range of crystalline materials using APT.

Main Methods:

• A novel single-pole crystallography mediated reconstruction (SP-CMR) methodology was developed.
• The method requires only one pole with observable lattice planes in the projected detector image.
• It incorporates the Hawkes-Kasper projection model and the direct Fourier (DF) fit algorithm, accounting for dynamic reconstruction parameter variations.

Main Results:

• The SP-CMR method was successfully applied to experimental Aluminum (Al) and highly Antimony (Sb)-doped Silicon (Si) data.
• Visual discrepancies between SP-CMR and uncalibrated reconstructions highlight improved spatial accuracy.
• Reconstructions demonstrated consistent plane spacings and angles matching theoretical crystallographic values.

Conclusions:

• The single-pole crystallography mediated reconstruction (SP-CMR) offers a simpler, faster, and more versatile approach to APT data calibration.
• This method extends the applicability of crystallographic calibration to materials previously challenging for APT analysis.
• SP-CMR enhances the accuracy of quantitative spatial measurements in nanostructure research.