[S1] S1 New Materials Science on Nanoscale Structures and Functions at Crystal Interface II

3:55 PM - 4:10 PM JST(6:55 AM - 7:10 AM UTC)

[S1.12] On-demand phase-field modeling: Three-dimensional Landau energy for HfO₂ through machine learning

○Yusuke Tamura^1,2, Kairi Masuda², Shin Kiyohara², Yu Kumagai^2,3 (1. School of Engineering, Tohoku University, 2. Institute for Material Research, Tohoku University, 3. Organization for Advanced Studies, Tohoku University)

Keywords:

Phase-field method,Ferroelectrics,Machine learning

To establish a phase-field model for HfO₂, a promising ferroelectric memory material, we construct a 3D Landau energy from large-scale datasets generated using a machine-learning potential. The model enables mesoscale analysis of domain formation and polarization switching under electric fields.