Cover Image

Effect of uniaxial compressive stress on polarization switching and domain wall formation in tetragonal phase BaTiO3 via machine learning potential

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Chen, Po-Yen, Mizoguchi, Teruyasu
Format:	Preprint
Published:	2026
Subjects:	Materials Science Chemical Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Long-range interaction effects on the phase transition, mechanical effect, and electric field response of BaTiO3 by machine learning potentials
by: Chen, Po-Yen, et al.
Published: (2026)

Transition from Homogeneous to Domain-Wall-Mediated Polarization Switching in BaTiO3: A Machine-Learning Molecular Dynamics Study
by: Chen, Po-Yen, et al.
Published: (2026)

Fragmented charged domain wall below the tetragonal-orthorhombic phase transition in BaTiO3
by: Bednyakov, Petr S., et al.
Published: (2024)

Crystal orbital overlap population based on all-electron ab initio simulation with numeric atom-centered orbitals and its application to chemical-bonding analysis in Li-intercalated layered materials
by: Takahara, Izumi, et al.
Published: (2024)

Decoupling structural and bonding effects on ferroelectric switching in ScAlN via molecular dynamics under an applied electric field
by: Sahashi, Ryotaro, et al.
Published: (2026)

Electric Field-Induced Phase Transitions and Hysteresis in Ferroelectric HfO2 Captured with Machine Learning Potential
by: Chen, Po-Yen, et al.
Published: (2025)

Origin of the tetragonal-to-hexagonal phase transitions in Fe-doped BaTiO$_3$
by: Li, Zhiyuan, et al.
Published: (2026)

Ultrafast solid-state chemical synthesis of BaTiO3 initiated by gyrotron microwave radiation
by: Sintsov, S. V., et al.
Published: (2025)

Origin of Reduced Coercive Field in ScAlN: Synergy of Structural Softening and Dynamic Atomic Correlations
by: Sahashi, Ryotaro, et al.
Published: (2026)

Construction of First Principle Based Adiabatic and Diabatic Hamiltonian for TiO$_6^{8-}$ unit of BaTiO$_3$ Crystal: Photoemission Spectra and Ferroelectricity
by: Sah, Mantu Kumar, et al.
Published: (2025)

Flexible Trilayer Cellulosic Paper Separators engineered with BaTiO$_3$ ferroelectric fillers for High Energy Density Sodium-ion Batteries
by: Sapra, Simranjot K., et al.
Published: (2024)

Point defect formation at finite temperatures with machine learning force fields
by: Mosquera-Lois, Irea, et al.
Published: (2024)

Charged domain walls in BaTiO$_3$ crystals emerging from superdomain boundaries
by: Bednyakov, P. S., et al.
Published: (2023)

A dual-cutoff machine-learned potential for condensed organic systems obtained via uncertainty-guided active learning
by: Kahle, Leonid, et al.
Published: (2024)

Ultrafast polarization switching in BaTiO$_3$ by photoactivation of its ferroelectric and central modes
by: Gu, Fangyuan, et al.
Published: (2023)

Achieving Robust Extrapolation in Materials Property Prediction via Decoupled Transfer Learning
by: Sugiura, Tasuku, et al.
Published: (2026)

Molecular electrostatic potentials from machine learning models for dipole and quadrupole predictions
by: Muuga, Kadri, et al.
Published: (2026)

Errors that matter: Uncertainty-aware universal machine-learning potentials calibrated on experiments
by: Kellner, Matthias, et al.
Published: (2026)

Reaction dynamics of lithium-mediated electrolyte decomposition using machine learning potentials
by: Kundu, Sohang, et al.
Published: (2025)

Prediction of semi-metallic tetragonal Hf2O3 and Zr2O3 from first-principles
by: Xue, Kan-Hao, et al.
Published: (2012)

A foundation machine learning potential with polarizable long-range interactions for materials modelling
by: Gao, Rongzhi, et al.
Published: (2024)

Bayesian Neural Networks versus deep ensembles for uncertainty quantification in machine learning interatomic potentials
by: Farris, Riccardo, et al.
Published: (2025)

Comparing the latent features of universal machine-learning interatomic potentials
by: Chorna, Sofiia, et al.
Published: (2025)

Unifying the description of hydrocarbons and hydrogenated carbon materials with a chemically reactive machine learning interatomic potential
by: Ibragimova, Rina, et al.
Published: (2024)

Interpolation and differentiation of alchemical degrees of freedom in machine learning interatomic potentials
by: Nam, Juno, et al.
Published: (2024)

How accurate are foundational machine learning interatomic potentials for heterogeneous catalysis?
by: Kempen, Luuk H. E., et al.
Published: (2025)

Ultrafast decoupling of polarization and strain in ferroelectric BaTiO$_3$
by: Hoang, Le Phuong, et al.
Published: (2025)

Self-learning path integral hybrid Monte Carlo with mixed ab initio and machine learning potentials for modeling nuclear quantum effects in water
by: Thomsen, Bo, et al.
Published: (2024)

Octahedral tilt-driven phase transitions in BaZrS$_3$ chalcogenide perovskite
by: Kayastha, Prakriti, et al.
Published: (2024)

Low-rank matrix and tensor approximations for compression of machine-learning interatomic potentials
by: Vorotnikov, Igor, et al.
Published: (2025)

Ferroelectric switching at edge dislocations in BaTiO$_3$ modelled at the atomic scale
by: Wijekoon, Himal, et al.
Published: (2026)

Coexisting polarization mechanisms in ferroelectric uniaxial tetragonal tungsten bronze Ca_0.3Ba_0.7Nb_2O_6
by: Buixaderas, E., et al.
Published: (2024)

Oxygen vacancies in BaTiO3 based ferroelectrics: electron doping, history dependence of Tc and domain wall pinning
by: Cordero, Francesco, et al.
Published: (2024)

Quantitative evaluation of nuclear quantum effects on the phase transitions in BaTiO3 using large-scale molecular dynamics simulations based on machine learning potentials
by: Kanayama, Kansei, et al.
Published: (2024)

Observation and control of potential-dependent surface state formation at a semiconductor-electrolyte interface via the optical anisotropy
by: Flieg, Marco, et al.
Published: (2025)

Inverse Materials Design via Joint Generation of Crystal Structures and Local Electronic Descriptors
by: Okuda, Ibuki, et al.
Published: (2026)

A universal machine learning model for the electronic density of states
by: How, Wei Bin, et al.
Published: (2025)

Constructing accurate machine-learned potentials and performing highly efficient atomistic simulations to predict structural and thermal properties
by: Liu, Junlan, et al.
Published: (2024)

Magnetic transition and spin-polarized two-dimensional electron gas controlled by polarization switching in strained CaMnO$_3$/BaTiO$_3$ slabs
by: Di Napoli, S., et al.
Published: (2023)

Effect of Stoichiometry on the Structure and Polarization of BaTiO3
by: Ashley E. Cavanagh, et al.
Published: (2025)