First-Principles-Augmented KAI Model Bridging Nucleation to Domain-Wall in Ferroelectric AlScN

Yichi Zhang; Ye Bin Dai; Haiming Qin; Hang Liu; Zijian Zhou; Suman Xia; Hongjing Lai; Heng Xiang; Chen Shen; Bowen Su; Dapeng Huang; Binbin Wu; Yeqing Zhu; Yujie Liu; Shufei Gu; Xueyan Zhang; Hao Zhang; Xinpeng Wang; Yu Tao Li; Yi Tong; Kan Hao Xue; Xiangshui Miao; Yi Yang; Tian Ling Ren

doi:10.1109/IEDM50572.2025.11353565

First-Principles-Augmented KAI Model Bridging Nucleation to Domain-Wall in Ferroelectric AlScN

Yichi Zhang
, Ye Bin Dai
, Haiming Qin
, Hang Liu
, Zijian Zhou
, Suman Xia
, Hongjing Lai
, Heng Xiang
, Chen Shen
, Bowen Su
, Dapeng Huang
, Binbin Wu
, Yeqing Zhu
, Yujie Liu
, Shufei Gu
, Xueyan Zhang
, Hao Zhang^*
, Xinpeng Wang
, Yu Tao Li
, Yi Tong^*

Kan Hao Xue^*, Xiangshui Miao, Yi Yang, Tian Ling Ren^*

^*Corresponding author for this work

Tsinghua University
Suzhou Laboratory
Nanjing University of Posts and Telecommunications
Huazhong University of Science and Technology
Pftn Semicond Co. Ltd

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

1 Citation (Scopus)

Abstract

A novel ferroelectric (FE) switching framework for wurtzite AlScN is proposed, fundamentally decoupling polarization reversal into two distinct physical stages: Sc-sitepreferential nucleation succeeded by electric-field-driven domain wall (DW) propagation. Validated by μs-pulse electrical measurements, the first-principles-driven model quantifies the transition from nucleation-dominated to DWdominated kinetics. The first phenomenological Monte Carlo framework for AlScN ferroelectrics is presented, experimentally verifying Sc-induced nucleation acceleration and enabling arbitrary-field switching waveform simulations. The advancement establishes the foundation for ultra-high-speed FeRAM and neuromorphic computing in AlScN.

Original language	English
Title of host publication	2025 IEEE International Electron Devices Meeting, IEDM 2025
Publisher	Institute of Electrical and Electronics Engineers Inc.
ISBN (Electronic)	9798331567859
DOIs	https://doi.org/10.1109/IEDM50572.2025.11353565
Publication status	Published - 2025
Externally published	Yes
Event	2025 IEEE International Electron Devices Meeting, IEDM 2025 - San Francisco, United States Duration: 6 Dec 2025 → 10 Dec 2025

Publication series

Name	Technical Digest - International Electron Devices Meeting, IEDM
ISSN (Print)	0163-1918

Conference

Conference	2025 IEEE International Electron Devices Meeting, IEDM 2025
Country/Territory	United States
City	San Francisco
Period	6/12/25 → 10/12/25

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10.1109/IEDM50572.2025.11353565

Cite this

Zhang, Y., Dai, Y. B., Qin, H., Liu, H., Zhou, Z., Xia, S., Lai, H., Xiang, H., Shen, C., Su, B., Huang, D., Wu, B., Zhu, Y., Liu, Y., Gu, S., Zhang, X., Zhang, H., Wang, X., Li, Y. T., ... Ren, T. L. (2025). First-Principles-Augmented KAI Model Bridging Nucleation to Domain-Wall in Ferroelectric AlScN. In 2025 IEEE International Electron Devices Meeting, IEDM 2025 (Technical Digest - International Electron Devices Meeting, IEDM). Institute of Electrical and Electronics Engineers Inc.. https://doi.org/10.1109/IEDM50572.2025.11353565

@inproceedings{4a27b0d41b7c46ea9f9e8fa150633d30,

title = "First-Principles-Augmented KAI Model Bridging Nucleation to Domain-Wall in Ferroelectric AlScN",

abstract = "A novel ferroelectric (FE) switching framework for wurtzite AlScN is proposed, fundamentally decoupling polarization reversal into two distinct physical stages: Sc-sitepreferential nucleation succeeded by electric-field-driven domain wall (DW) propagation. Validated by μs-pulse electrical measurements, the first-principles-driven model quantifies the transition from nucleation-dominated to DWdominated kinetics. The first phenomenological Monte Carlo framework for AlScN ferroelectrics is presented, experimentally verifying Sc-induced nucleation acceleration and enabling arbitrary-field switching waveform simulations. The advancement establishes the foundation for ultra-high-speed FeRAM and neuromorphic computing in AlScN.",

author = "Yichi Zhang and Dai, \{Ye Bin\} and Haiming Qin and Hang Liu and Zijian Zhou and Suman Xia and Hongjing Lai and Heng Xiang and Chen Shen and Bowen Su and Dapeng Huang and Binbin Wu and Yeqing Zhu and Yujie Liu and Shufei Gu and Xueyan Zhang and Hao Zhang and Xinpeng Wang and Li, \{Yu Tao\} and Yi Tong and Xue, \{Kan Hao\} and Xiangshui Miao and Yi Yang and Ren, \{Tian Ling\}",

note = "Publisher Copyright: {\textcopyright} 2025 IEEE.; 2025 IEEE International Electron Devices Meeting, IEDM 2025 ; Conference date: 06-12-2025 Through 10-12-2025",

year = "2025",

doi = "10.1109/IEDM50572.2025.11353565",

language = "English",

series = "Technical Digest - International Electron Devices Meeting, IEDM",

publisher = "Institute of Electrical and Electronics Engineers Inc.",

booktitle = "2025 IEEE International Electron Devices Meeting, IEDM 2025",

address = "United States",

}

Zhang, Y, Dai, YB, Qin, H, Liu, H, Zhou, Z, Xia, S, Lai, H, Xiang, H, Shen, C, Su, B, Huang, D, Wu, B, Zhu, Y, Liu, Y, Gu, S, Zhang, X, Zhang, H, Wang, X, Li, YT, Tong, Y, Xue, KH, Miao, X, Yang, Y & Ren, TL 2025, First-Principles-Augmented KAI Model Bridging Nucleation to Domain-Wall in Ferroelectric AlScN. in 2025 IEEE International Electron Devices Meeting, IEDM 2025. Technical Digest - International Electron Devices Meeting, IEDM, Institute of Electrical and Electronics Engineers Inc., 2025 IEEE International Electron Devices Meeting, IEDM 2025, San Francisco, United States, 6/12/25. https://doi.org/10.1109/IEDM50572.2025.11353565

First-Principles-Augmented KAI Model Bridging Nucleation to Domain-Wall in Ferroelectric AlScN. / Zhang, Yichi; Dai, Ye Bin; Qin, Haiming et al.
2025 IEEE International Electron Devices Meeting, IEDM 2025. Institute of Electrical and Electronics Engineers Inc., 2025. (Technical Digest - International Electron Devices Meeting, IEDM).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

TY - GEN

T1 - First-Principles-Augmented KAI Model Bridging Nucleation to Domain-Wall in Ferroelectric AlScN

AU - Zhang, Yichi

AU - Dai, Ye Bin

AU - Qin, Haiming

AU - Liu, Hang

AU - Zhou, Zijian

AU - Xia, Suman

AU - Lai, Hongjing

AU - Xiang, Heng

AU - Shen, Chen

AU - Su, Bowen

AU - Huang, Dapeng

AU - Wu, Binbin

AU - Zhu, Yeqing

AU - Liu, Yujie

AU - Gu, Shufei

AU - Zhang, Xueyan

AU - Zhang, Hao

AU - Wang, Xinpeng

AU - Li, Yu Tao

AU - Tong, Yi

AU - Xue, Kan Hao

AU - Miao, Xiangshui

AU - Yang, Yi

AU - Ren, Tian Ling

PY - 2025

Y1 - 2025

N2 - A novel ferroelectric (FE) switching framework for wurtzite AlScN is proposed, fundamentally decoupling polarization reversal into two distinct physical stages: Sc-sitepreferential nucleation succeeded by electric-field-driven domain wall (DW) propagation. Validated by μs-pulse electrical measurements, the first-principles-driven model quantifies the transition from nucleation-dominated to DWdominated kinetics. The first phenomenological Monte Carlo framework for AlScN ferroelectrics is presented, experimentally verifying Sc-induced nucleation acceleration and enabling arbitrary-field switching waveform simulations. The advancement establishes the foundation for ultra-high-speed FeRAM and neuromorphic computing in AlScN.

AB - A novel ferroelectric (FE) switching framework for wurtzite AlScN is proposed, fundamentally decoupling polarization reversal into two distinct physical stages: Sc-sitepreferential nucleation succeeded by electric-field-driven domain wall (DW) propagation. Validated by μs-pulse electrical measurements, the first-principles-driven model quantifies the transition from nucleation-dominated to DWdominated kinetics. The first phenomenological Monte Carlo framework for AlScN ferroelectrics is presented, experimentally verifying Sc-induced nucleation acceleration and enabling arbitrary-field switching waveform simulations. The advancement establishes the foundation for ultra-high-speed FeRAM and neuromorphic computing in AlScN.

UR - https://www.scopus.com/pages/publications/105033590155

U2 - 10.1109/IEDM50572.2025.11353565

DO - 10.1109/IEDM50572.2025.11353565

M3 - Conference contribution

AN - SCOPUS:105033590155

T3 - Technical Digest - International Electron Devices Meeting, IEDM

BT - 2025 IEEE International Electron Devices Meeting, IEDM 2025

PB - Institute of Electrical and Electronics Engineers Inc.

T2 - 2025 IEEE International Electron Devices Meeting, IEDM 2025

Y2 - 6 December 2025 through 10 December 2025

ER -

Zhang Y, Dai YB, Qin H, Liu H, Zhou Z, Xia S et al. First-Principles-Augmented KAI Model Bridging Nucleation to Domain-Wall in Ferroelectric AlScN. In 2025 IEEE International Electron Devices Meeting, IEDM 2025. Institute of Electrical and Electronics Engineers Inc. 2025. (Technical Digest - International Electron Devices Meeting, IEDM). doi: 10.1109/IEDM50572.2025.11353565

First-Principles-Augmented KAI Model Bridging Nucleation to Domain-Wall in Ferroelectric AlScN

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