About this Abstract |
Meeting |
2023 TMS Annual Meeting & Exhibition
|
Symposium
|
Computational Thermodynamics and Kinetics
|
Presentation Title |
Thermodynamic and Kinetic Temperature-electric Field Diagrams for Ferroelectric HfO2 Based on Atomistic Simulation |
Author(s) |
Sahar Diaaeldin Abdelazim, Mostafa Youssef |
On-Site Speaker (Planned) |
Sahar Diaaeldin Abdelazim |
Abstract Scope |
Since the discovery of ferroelectricity in hafnia (HfO2), interest in this material has increased in many applications particularly in electronics devices including ferroelectric random-access memories. This is due to its preserved unique ferroelectricity till few nanometers. This unique ferroelectricity of hafnia being a binary oxide is believed to be stabilized by several thermodynamic factors among which oxygen vacancies are key ones. Herein we employ classical molecular dynamics to uncover unique structural and kinetic properties for oxygen vacancies in HfO2 as a function of temperature (T) and electric field (E). The results are depicted on T-E diagrams and transitions are explained based on atomistic details and polarization changes. Our work provides insights into the performance of ferroelectric HfO2 in its applications. |
Proceedings Inclusion? |
Planned: |
Keywords |
Electronic Materials, Computational Materials Science & Engineering, Nanotechnology |