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Abstract The discovery of ferroelectricity in AlN‐based thin films, including Al1‐xScxN and Al1‐xBxN, over the past few years has spurred great research interests worldwide. In this review, we carefully examined the latest developments for these ferroelectric films with respect to alloy composition, temperature, film thickness, deposition condition, and fatigue endurance by electric field cycling. Looking ahead, there is an urgent need to resolve the challenge of large current leakage faced by these films, which necessitates a combined efforts from both simulations and experiments to identify the root cause and eventually come up with engineering strategies to suppress such leakage. In addition, overcoming the thickness scaling challenge to push ferroelectric thin film down to a few nanometers for better device miniaturization will also be of great interest. Considering the somewhat unexpected discovery of AlN‐based thin films with potential ferroelectric application, we believe that it will be also rewarding to further explore other III‐V‐based semiconductor materials.
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This content will become publicly available on August 18, 2025
Molecular dynamics simulations on ferroelectricity of AlN thin films
Abstract The recent realization of ferroelectricity in scandium‐ and boron‐substituted AlN thin films has spurred tremendous research interests. Here we established a molecular dynamics simulation framework to model the ferroelectricity of AlN thin films. Through reparameterization of Vashishta potential for AlN, the coercive field strength and the AlN polarization were found to be close to experimental values. Furthermore, we examined the effects of film thickness, temperature, in‐plane strain on polarization‐electric field hysteresis loop, and the thickness‐dependent Curie temperature. Lastly, we incorporated electrodes towards atomic‐level modeling of ferroelectric device, by considering the induced charge at the interface between electrodes and ferroelectric film. We found that low dielectric contrast significantly lowers the coercive field for switching AlN.
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- PAR ID:
- 10534002
- Publisher / Repository:
- Wiley-Blackwell
- Date Published:
- Journal Name:
- Journal of the American Ceramic Society
- ISSN:
- 0002-7820
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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