About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Phase Stability, Phase Transformations, and Reactive Phase Formation in Electronic Materials XXV
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| Presentation Title |
Phase-Field Simulation of Field-Induced Phase Transformations and Reliability in Hafnia-Based Thin Films |
| Author(s) |
P Pankaj, Sandeep Sugathan, Pil-Ryung Cha |
| On-Site Speaker (Planned) |
P Pankaj |
| Abstract Scope |
We develop a phase-field model for polycrystalline antiferroelectric (AFE) thin films using Kittel’s two-sublattice polarization formalism, with macroscopic (Pm) and staggered (Ps) components. By adjusting inter-sublattice coupling, the model captures first-order and second-order transitions among AFE, FE, and DE phases in a unified framework. Pm evolves via the TDGL equation, while Ps is obtained through local energy minimization. Depolarization effects are included by solving the Poisson equation with FFT for in-plane periodic boundary conditions and DST/DCT for out-of-plane boundary conditions: Dirichlet (short-circuit) or Neumann (open-circuit). The model reproduces wake-up, fatigue, and endurance by varying AFE, FE, and DE volume fractions. Simulated polarization–electric field (P–E) hysteresis curve for 100% AFE closely matches experimentally obtained ZrO2 P-E curve. Temperature dependence is incorporated through Landau coefficients, enabling studies of thermal effects on switching and reliability in hafnia-based devices. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Phase Transformations, Electronic Materials, Computational Materials Science & Engineering |