Electric-field-induced crystallization of Hf0.5Zr0.5O2 thin film based on phase-field modeling

Abstract Ferroelectricity in crystalline hafnium oxide has attracted considerable attention because of its potential application for memory devices. A recent breakthrough involves electric-field-induced crystallization, allowing HfO2-based materials to avoid high-temperature crystallization, which is unexpected in the back-end-of-line process. However, due to the lack of clarity in understanding the mechanisms during the crystallization process, we aim to employ theoretical methods for simulation, to guide experimental endeavors. In this work, we extended our phase-field model by coupling the crystallization model and time-dependent Ginzburg-Landau equation to analyze the crystalline properties and the polarization evolution of Hf0.5Zr0.5O2 thin film under applying an electric field periodic pulse. Through this approach, we found a wake-up effect during the process of crystallization and a transformation from orthorhombic nano-domains to the stripe domain. Furthermore, we have proposed an innovative artificial neural synapse concept based on the continuous polarization variation under applied electric field pulses. Our research lays the theoretical groundwork for the advancement of electric-field-induced crystallization in the hafnium oxide system.