4 papers · 1 filter
Bridging experiment and theory of relaxor ferroelectrics at the atomic scale with multislice electron ptychography
Menglin Zhu, Michael Xu, Yubo Qi +7
Introducing structural and/or chemical heterogeneity into otherwise ordered crystals can dramatically alter material properties. Lead-based relaxor ferroelectrics are a prototypica…
A Processing Route to Chalcogenide Perovskites Alloys with Tunable Band Gap via Anion Exchange
Kevin Ye, Ida Sadeghi, Michael Xu +6
We demonstrate synthesis of BaZr(S,Se)3 chalcogenide perovskite alloys by selenization of BaZrS3 thin films. The anion-exchange process produces films with tunable composition and…
Validation of machine-learned interatomic potentials via temperature-dependent electron thermal diffuse scattering
Dennis S. Kim, Michael Xu, James M. LeBeau
Machine-learned interatomic potentials (MLIPs) show promise in accurately describing the physical properties of materials, but there is a need for a higher throughput method of val…
Correlating Local Chemical and Structural Order Using Geographic Information Systems-Based Spatial Statistics
Michael Xu, Abinash Kumar, James M. LeBeau
Analysis of nanoscale short-range chemical and/or structural order via (scanning) transmission electron microscopy (S/TEM) imaging is fundamentally limited by projection of the thr…