Work

Nanoscale Phase Identification Using Two-Dimensional Pair Correlation Functions: A Case Study on Hafnium Oxide

Year: 2025

Type: article

Abstract: Accurate identification of local phases in nanocrystalline materials is essential for understanding their functional properties, but it remains a significant challenge for polymorphic materials to locally differentiate them at nanoscale. This challenge is further compounded in polycrystalline materials with randomly oriented grains and the coexistence of multiple phases. In this report, we present a methodology for phase and orientation identification at the nanoscale by leveraging vector pair correlation functions extracted from atomically resolved scanning transmission electron microscopy (STEM) images. We demonstrate the accuracy of the methodology on both simulated and experimental data from HfO2-based films, a material that exhibits multiple coexisting phases in films with thicknesses ranging from 5 to 20 nm. While demonstrated on HfO2 films, the methodology can be extended to other polymorphic nanocrystalline systems with complex phase coexistence.

Source: Microscopy and Microanalysis

DOI: 10.1093/mam/ozaf083

Authors: S Calderon V, Charles Evans, Samantha T Jaszewski, Jon F Ihlefeld, Elizabeth C Dickey

Institutions: Carnegie Mellon University, University of Virginia

Language: English

Topic: Advanced Electron Microscopy Techniques and Applications

Subfield: Structural Biology

Field: Biochemistry, Genetics and Molecular Biology

Domain: Life Sciences

Open Access status: hybrid

Estimated APC paid: $3,554