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We investigate, using density functional theory, how the interaction between the ferroelectric polarization and the chemical structure of the (001) surfaces of bismuth ferrite influences the surface properties and reactivity of this…

Materials Science · Physics 2021-03-09 Ipek Efe , Nicola A. Spaldin , Chiara Gattinoni

Hafnium oxide (HfO2)-based ferroelectrics offer remarkable promise for memory and logic devices in view of their compatibility with traditional silicon CMOS technology, high switchable polarization, good endurance and thickness scalability.…

Applied Physics · Physics 2020-04-29 Liam Collins , Umberto Celano

Porous electrodes composed of multiphase active materials are widely used in Li-ion batteries, but their dynamics are poorly understood. Two-phase models are largely empirical, and no models exist for three or more phases. Using a modified…

Chemical Physics · Physics 2014-02-07 Todd R. Ferguson , Martin Z. Bazant

To elucidate a novel pressure-temperature phase diagram of the quasi-one-dimensional mixed-stack charge-transfer (CT) complex TTF-CA, we study the quasi-one-dimensional spin-1 Blume-Emery-Griffith (BEG) model. In addition to the local…

Strongly Correlated Electrons · Physics 2009-11-10 Jun-ichiro Kishine , Tadeusz Luty , Kenji Yonemitsu

Magnetic properties of an Ising bilayer system defined on a honeycomb lattice with non-magnetic interlayers which interact via an indirect exchange coupling have been investigated by Monte Carlo simulation technique. Equilibrium properties…

Statistical Mechanics · Physics 2018-11-14 Yusuf Yüksel

The dynamics of a degree of freedom associated to an axial vector in contact with a heat bath is decribed by means of a probability distribution function obeying a Fokker-Planck equation. The equation is derived by using mesoscopic…

Soft Condensed Matter · Physics 2010-01-27 J. G. Méndez-Bermúdez , I. Santamaría-Holek

Since the discovery of polar topological textures, achieving efficient control and manipulation of them has emerged as a significant challenge for their integration into nanoelectronic devices. In this study, we use second principles…

Materials Science · Physics 2025-08-01 Fernando Gómez-Ortiz , Louis Bastogne , He Xu , Philippe Ghosez

Anti-ferromagnetic materials have the possibility to offer ultra fast, high data density spintronic devices. A significant challenge is the reliable detection of the state of the antiferromagnet, which can be achieved using exchange bias.…

Materials Science · Physics 2021-03-17 Sarah Jenkins , Roy. W. Chantrell , Richard. F. L. Evans

We use molecular dynamics simulations to understand the mechanisms of polarization switching in ferroelectric BaTiO$_3$ achieved with external electric field. For tetragonal and orthorhombic ferroelectric phases, we determine the switching…

Materials Science · Physics 2009-11-13 Jaita Paul , Takeshi Nishimatsu , Yoshiyuki Kawazoe , Umesh V. Waghmare

The polarization and the susceptibility of a ferroelectric multilayer with a non-ferroelectric slab are investigated within the framework of transverse Ising model with a four-spin interaction term. The effect of the thickness and the…

Materials Science · Physics 2009-11-07 Yin-Zhong Wu , Dong-Lai Yao , Wen Dong , Zhen-Ya Li

Electrostatic field matching (EFM) has recently appeared as a novel physics-inspired paradigm for data generation and transfer using the idea of an electric capacitor. However, it requires modeling electrostatic fields using neural…

Machine Learning · Computer Science 2026-03-04 Stepan I. Manukhov , Alexander Kolesov , Vladimir V. Palyulin , Alexander Korotin

The non-equilibrium transition from a fluid-like state to a disordered solid-like state, known as the jamming transition, occurs in a wide variety of physical systems, such as colloidal suspensions and molecular fluids, when the temperature…

Soft Condensed Matter · Physics 2012-02-10 M. Pica Ciamarra , R. Pastore , M. Nicodemi , A. Coniglio

A thermodynamic theory of ferroelectric thin film multilayers is developed. The free energy function is written down using a multilayer model in which c-domain layers of one ferroelectric material alternate with a-domain layers of a second…

Materials Science · Physics 2007-05-23 M. D. Glinchuk , E. A. Eliseev , V. A. Stephanovich , M. G. Karkut , R. Farhi

General energy approaches have been applied to study the single-domain polarization reversal induced by the voltage-modulated Atomic Force Microscopy (AFM) in ferroelectric single crystals and thin films. Topographic analysis of energy…

Materials Science · Physics 2009-11-10 A. Yu. Emelyanov

Composite structures must endure a great variety of multi-axial stress states during their lifespan while guaranteeing their structural integrity and functional performance. Understanding the fatigue behavior of these materials, especially…

Applied Physics · Physics 2019-07-25 Yao Qiao , Antonio Alessandro Deleo , Marco Salviato

The ferroelectric polarization switching in ferroelectric hafnium zirconium oxide (Hf0.5Zr0.5O2, HZO) in the HZO/Al2O3 ferroelectric/dielectric stack is investigated systematically by capacitance-voltage and polarization-voltage…

Applied Physics · Physics 2019-06-25 Mengwei Si , Xiao Lyu , Peide D. Ye

A microscopic model for describing ferroelectric nanoparticles is proposed which allows us to calculate the polarization as a function of an external electric field, the temperature, the defect concentration and the particle size. The…

Statistical Mechanics · Physics 2015-06-25 Th. Michael , S. Trimper , J. M. Wesselinowa

Electrical measurements of ferroelectric switching kinetics are widely used to probe the dynamics of polarization reversal, yet the influence of the measurement circuit is often underappreciated. In this paper, we show that the interplay…

Materials Science · Physics 2026-04-08 Yi Liang , Pat Kezer , John T. Heron

Magnetization processes and phase transitions in a geometrically frustrated triangular lattice Ising antiferromagnet in the presence of an external magnetic field and a random site dilution are studied by the use of an effective-field…

Statistical Mechanics · Physics 2012-12-24 M. Žukovič , M. Borovský , A. Bobák

By assuming a more realistic nucleation and polarization reversal scenario we build a new statistical switching model for ferroelectrics, which is different from either the Kolmogorov-Avrami-Ishibashi (KAI) model or the…

Data Analysis, Statistics and Probability · Physics 2008-12-05 X. J. Lou