arXiv subjects

Tae Ryong Kim

Publications and source records attributed to Tae Ryong Kim.

2 recordsLinked to original sources

arXiv2026

Zr Concentration-Dependent Sub-Lattice Phase-Field Model of Hf1-xZrxO2: Analysis of Phase Composition and Polarization Switching

We develop a sub-lattice phase-field model of Hf1-xZrxO2 incorporating zirconium (Zr) concentration (x)-dependence. Our framework expands the time-dependent Ginzburg-Landau (TDGL) equation to the sub-lattice level and incorporates x-dependent interaction parameters and gradient coefficients. Our experimentally calibrated model captures the evolution of charge-voltage (Q-V) characteristics for x ranging from 0.5 to 1.0. The sub-lattice formulation explains the thermodynamic preference and kinetic transition barriers of competing orthorhombic phase (o-phase) and tetragonal phase (t-phase), while the phase-field framework enables spatially resolved analysis of polarization (P) and electric-field (E-field) profiles, allowing multi-domain (MD) polarization and mixed-phase states to emerge naturally. Our model reproduces the experimentally observed ferroelectric (FE)-to-anti-ferroelectric (AFE) transition as x increases from 0.5 to 1.0. At low Zr concentration (x = 0.5-0.6), the o-phase dominates, yielding distinct FE behavior. At high concentration (x = 0.9-1.0), the t-phase is stabilized, leading to AFE transitions. A key finding of our work is the unique behavior at intermediate Zr concentrations (x = 0.7-0.8). Here, the o- and t-phase energies are comparable, making the system strongly influenced by local variations in the electric field (E-field), which arise from stray fields near the domain walls. This non-uniform field distribution results in a mixed-phase composition and spatially staggered polarization reversal, which manifests as a more gradual Q-V evolution compared to other values of x. By linking energy landscapes to spatial field effects, the model provides insights into the FE-to-AFE crossover in Hf1-xZrxO2.

cond-mat.mtrl-sci↗

arXiv2025

Experimental Investigation of Variations in Polycrystalline Hf0.5Zr0.5O2 (HZO)-based MFIM

Device-to-device variations in ferroelectric (FE) hafnium oxide (HfO2)-based devices pose a crucial challenge that limits the otherwise promising capabilities of this technology. Although previous simulation-based studies have identified polarization (P) domain nucleation and polycrystallinity as key contributors to variations in HfO2, experimental validation remains limited. Here, we experimentally investigate variations in remanent polarization (PR) of Hf0.5Zr0.5O2 (HZO)-based metal-ferroelectric-insulator-metal (MFIM) capacitors across different set voltages (VSET) and FE thicknesses (TFE). Our measurements reveal a non-monotonic behavior of the standard deviation of PR with VSET peaking around coercive voltage (VC), which is consistent with previous simulation-based predictions. In the low- and high-VSET regions, PR variations are primarily dictated by saturation polarization (PS) variations, mainly originating from charge trap effects at the interface between the FE-dielectric (DE) layer and the polycrystallinity of FE. On the other hand, in the mid-VSET region peak, the PR variations are attributed to the VC variation, which comes from a combined effect of multi-domain (MD) P switching and polycrystallinity. Notably, sharp P switching associated with domain nucleation amplifies the variations, resulting in a peak of PR variations in this VSET range. Further, we observe that as HZO thickness (TFE) is scaled, the non-monotonicity in variations with VSET is reduced, primarily due to reduced domain nucleation and smaller grain sizes. We experimentally establish a strong correlation of PR with PS in the low- and high-VSET regions and with VC in the mid-VSET region across various TFE. Finally, our experimental findings are corroborated with simulations using a 3D phase-field model.

physics.app-ph↗