arXiv subjects

Pil-Ryung Cha

Publications and source records attributed to Pil-Ryung Cha.

7 recordsLinked to original sources

arXiv2026

Unified Phase-Field Framework for Antiferroelectric, Ferroelectric and Dielectric Phases: Application to HZO Thin Films

Polycrystalline hafnia-based thin films exhibit mixed ferroelectric (FE), antiferroelectric (AFE), and dielectric (DE) behavior, with switching characteristics strongly influenced by microstructure and phase distribution. Here, we develop a unified grain-resolved three-dimensional phase-field framework for metal-insulator-metal capacitors that simultaneously captures ferroic phase characteristics in realistic polycrystalline microstructures by explicitly incorporating grain topology and crystallographic orientation. Antipolar sublattice kinetics are represented via the coupled evolution of macroscopic and staggered polarization order parameters. All thermodynamic and kinetic parameters are calibrated to experimental P-E hysteresis loops and held fixed across all simulations. The results show that phase fractions primarily determine hysteresis character, while vertical segregation of AFE- and FE-rich regions systematically reduces the effective coercive field (Ec) under identical electrical loading. Grain-resolved analysis reveals that this reduction arises from microstructure-assisted switching pathways and electrostatic coupling between layers. These findings demonstrate that vertical phase arrangement provides a viable strategy to engineer switching behavior in hafnia-based ferroic capacitors and highlight the importance of explicit microstructural resolution for quantitative phase-field modeling.

cond-mat.mtrl-sci↗

arXiv2024

Enhancement of spin Hall angle by an order of magnitude via Cu intercalation in MoS$_2$/CoFeB heterostructures

Transition metal dichalcogenides (TMDs) are a novel class of quantum materials with significant potential in spintronics, optoelectronics, valleytronics, and opto-valleytronics. TMDs exhibit strong spin-orbit coupling, enabling efficient spin-charge interconversion, which makes them ideal candidates for spin-orbit torque-driven spintronic devices. In this study, we investigated the spin-to-charge conversion through ferromagnetic resonance in MoS$_2$/Cu/CoFeB heterostructures with varying Cu spacer thicknesses. The conversion efficiency, quantified by the spin Hall angle, was enhanced by an order of magnitude due to Cu intercalation. Magneto-optic Kerr effect microscopy confirmed that Cu did not significantly modify the magnetic domains, indicating its effectiveness in decoupling MoS$_2$ from CoFeB. This decoupling preserves the spin-orbit coupling (SOC) of MoS$_2$ by mitigating the exchange interaction with CoFeB, as proximity to localized magnetization can alter the electronic structure and SOC. First-principles calculations revealed that Cu intercalation notably enhances the spin Berry curvature and spin Hall conductivity, contributing to the increased spin Hall angle. This study demonstrates that interface engineering of ferromagnet/TMD-based heterostructures can achieve higher spin-to-charge conversion efficiencies, paving the way for advancements in spintronic applications.

cond-mat.mtrl-sci↗

arXiv2022

A phase field model combined with genetic algorithm for polycrystalline hafnium zirconium oxide ferroelectrics

Ferroelectric hafnium zirconium oxide (HZO) thin films show significant promise for applications in ferroelectric random-access memory, ferroelectric field-effect transistors, and ferroelectric tunneling junctions. However, there are shortcomings in understanding ferroelectric switching, which is crucial in the operation of these devices. Here a computational model based on phase field method is developed to simulate the switching behavior of polycrystalline HZO thin films. Furthermore, we introduce a novel approach to optimize the effective Landau coefficients describing the free energy of HZO by combining the phase field model with a genetic algorithm. We validate the model by accurately simulating switching curves for HZO thin films with different ferroelectric phase fractions. The simulated domain dynamics during switching also shows amazing similarity to the available experimental observations. The present work also provides fundamental insights into enhancing the ferroelectricity in HZO thin films by controlling grain morphology and crystalline texture. It can potentially be extended to improve the ferroelectric properties of other hafnia based thin films.

cond-mat.mtrl-sci↗

arXiv2022

Factors that control stability, variability, and reliability issues of endurance cycle in ReRAM devices: a phase field study

The morphological evolution of the conducting filament (CF) predominantly controls the electric response of the resistive random access memory (ReRAM) devices. However, the parameters -- in terms of the material and the processing -- which control the growth of such CF are plenty. Extending the phase field technique for ReRAM systems presented by Roy and Cha [J. Appl. Phys. 128, 205102 (2020)], we could successfully model the complete SET (low resistance state) and RESET (high resistance state) sates due to the application of sweeping voltage. The key parameters that influence the stability of the multi-cycle \emph{I-V} response or the endurance behavior are identified. The computational findings of the presented model ReRAM system are practical in correlating the multi-parametric influence with the stability, variability, and reliability of the endurance cycle that affect the device performance and also lead to the device failure. We believe that our computational approach of connecting the morphological changes of the CF with the electrical response, has the potential to further understand and optimize the performance of the ReRAM devices.

physics.app-ph↗

arXiv2015

Atomistic simulations of the structures of Pd-Pt bimetallic nanoparticles and nanowires

Bimetallic nanoalloys such as nanoparticles and nanowires are attracting significant attention due to their vast potential applications such as in catalysis and nanoelectronics. Notably, Pd-Pt nanoparticles/nanowires are being widely recognized as catalysts and hydrogen sensors. Compared to unary systems, alloys present more structural complexity with various compositional configurations. Therefore, it is important to understand energetically preferred atomic structures of bimetallic nanoalloys. In this study, we performed a series of simulated annealing Monte Carlo simulations to predict the energetically stable atomic arrangement of Pd-Pt nanoparticles and nanowires as a function of composition based on a set of carefully designed empirical potential models. Both the Pd-Pt nanoparticles and nanowires exhibit quasi-ordered configurations, quite similar to bulk alloy phases such as the $\rm L1_0$ and the $\rm L1_2$ structures with substantial surface segregation effects. We believe that this study can provide a theoretical guide for the design of various bimetallic nanomaterials.

cond-mat.mtrl-sci↗

arXiv2012

Monte Carlo simulations of the structure of Pt-based bimetallic nanoparticles

Pt-based bimetallic nanoparticles have attracted significant attention as a promising replacement for expensive Pt nanoparticles. In the systematic design of bimetallic nanoparticles, it is important to understand their preferred atomic structures. However, compared with unary systems, alloy nanoparticles present more structural complexity with various compositional configurations, such as mixed-alloy, core-shell, and multishell structures. In this paper, we developed a unified empirical potential model for various Pt-based binary alloys, such as Pd-Pt, Cu-Pt, Au-Pt, and Ag-Pt. Within this framework, we performed a series of Monte Carlo (MC) simulations that quantify the energetically favorable atomic arrangements of Pt-based alloy nanoparticles: an intermetallic compound structure for the Pd-Pt alloy, an onion-like multi-shell structure for the Cu-Pt alloy, and core-shell structures (Au@Pt and Ag@Pt) for the Au-Pt and Ag-Pt alloys. The equilibrium nanoparticle structures for the four alloy types were compared with each other, and the structural features can be interpreted by the interplay of their material properties, such as the surface energy and heat of formation.

cond-mat.mtrl-sci↗

arXiv2003

Phase-field study for the splitting mechanism of coherent misfitting precipitates in anisotropic elastic media

Coherent misfitting precipitates in elastically stressed media such as $γ\prime$ particles in nickel-based super-alloys show various splitting patterns such as doublets, quartets, or octets due to their misfit strain energy. While it is an interesting instability phenomenon defying conventional surface thermodynamics, its mechanism is not completely clear. Through a phase-field study upon the splitting behavior and morphological evolution of coherent precipitates, we show that an interface instability driven by elastic anisotropy and a diffusion field can generate elastically induced splitting during diffusional phase transition. Particle splitting is triggered by interface grooving which advances by penetrating grooves into the interior of the particle. The sequential evolution of shapes during the splitting process is in good agreement with previous experiments.

cond-mat.mtrl-sci↗