Unveiling rare earth dopant configurations and crystal field analysis in tetragonal BaTiO 3 via machine learning and superposition modeling
Abstract
Machine-learning structural optimization combined with crystal-field modeling reveals systematic site preference, lattice distortion, and stabilization trends across the full rare-earth series in BaTiO 3 .
Fields of Study & Subjects
Machine Learning in Materials Science
Block Copolymer Self-Assembly
Model Reduction and Neural Networks
Publication details
- Journal / source
- Journal of Materials Chemistry C
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 14
- Issue
- 14
- Pages
- 6012–6031
- Publication date
- 1 January 2026
- Language
- EN