FerroX: a GPU-accelerated, 3D phase-field simulation framework for modeling ferroelectric devices

DOI10.1016/J.CPC.2023.108757arXiv2210.15668MaRDI QIDQ6115288FDOQ6115288

Authors:

Publication date: 12 July 2023

Published in: Computer Physics Communications (Search for Journal in Brave)

Abstract: We present a massively parallel, 3D phase-field simulation framework for modeling ferro-electric materials based scalable logic devices. We self-consistently solve the time-dependent Ginzburg Landau (TDGL) equation for ferroelectric polarization, Poisson equation for electric potential, and charge equation for carrier densities in semiconductor regions. The algorithm is implemented using the AMReX software framework, which provides effective scalability on manycore and GPU-based supercomputing architectures. We demonstrate the performance of the algorithm with excellent scaling results on NERSC multicore and GPU systems, with a significant (15x) speedup on the GPU using a node-by-node comparison. We further demonstrate the applicability of the code in simulations of ferroelectric domain-wall induced negative capacitance (NC) effect in Metal-Ferroelectric-Insulator-Metal (MFIM) and Metal-Ferroelectric-Insulator-Semiconductor-Metal (MFISM) devices. The charge (Q) v.s. applied voltage (V) responses for these structures clearly indicates stabilized negative capacitance.

Full work available at URL: https://arxiv.org/abs/2210.15668

Recommendations

• Numerical modeling and investigations of 3D devices with ferroelectric layer fully embedded in a paraelectric environment
• Domain evolution in ferroelectric materials: a continuum phase field model and finite element implementation
• Phase-field modeling for polarization evolution in ferroelectric materials via an isogeometric collocation method
• Phase field simulations of low-dimensional ferroelectrics
• Coordinate‐invariant phase field modeling of ferro‐electrics, part I: Model formulation and single‐crystal simulations

zbMATH Keywords

high performance computingphase-field modelingnegative capacitanceferroelectric devices

Mathematics Subject Classification ID

Statistical mechanics, structure of matter (82-XX) Optics, electromagnetic theory (78-XX)

Cites Work

• Applications of semi-implicit Fourier-spectral method to phase field equations

This page was built for publication: FerroX: a GPU-accelerated, 3D phase-field simulation framework for modeling ferroelectric devices

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q6115288)