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

Journal Article · · Computer Physics Communications
ORCiD logo [1];  [1];  [1];  [2];  [3]; ORCiD logo [1]
  1. Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
  2. Univ. of California, Berkeley, CA (United States)
  3. Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)

We present a massively parallel, 3D phase-field simulation framework for modeling ferroelectric materials based scalable logic devices. This code package, FerroX, self-consistently solves the time-dependent Ginzburg Landau (TDGL) equation for ferroelectric polarization, Poisson's equation for electric potential, and charge equation for carrier densities in semiconductor regions. The algorithm is implemented using the AMReX software framework [1], 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 (15×) 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. voltage (V) responses for these 3D structures clearly indicate stabilized negative capacitance with multidomain formation, which is corroborated by amplification of the voltage at the interface between the ferroelectric and dielectric layers.

Research Organization:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
AC02-05CH11231; AC02-05-CH11231
OSTI ID:
1973296
Alternate ID(s):
OSTI ID: 2234044
Journal Information:
Computer Physics Communications, Vol. 290; ISSN 0010-4655
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English

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