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The thermodynamic dislocation theory developed for non-uniform plastic deformations is used here for the analysis of twisted copper wires. With a small set of physical parameters that we expect to be independent of strain rate and…

Materials Science · Physics 2018-08-20 Khanh Chau Le , Yinguang Piao

We report a molecular dynamics study of ab initio quality of the ferroelectric phase transition in crystalline PbTiO3. We model anharmonicity accurately in terms of potential energy and polarization surfaces trained on density functional…

Materials Science · Physics 2025-04-02 Pinchen Xie , Yixiao Chen , Weinan E , Roberto Car

We calculate the realistic sizes of nano-domains recorded by the electric field of atomic force microscope tip in BaTiO3 and LiNbO3 ferroelectric-semiconductors in contrast to the over-estimated ones obtained in the previous works. We…

Materials Science · Physics 2009-11-11 Anna N. Morozovska , Eugene A. Eliseev

One-dimensional organo-metal halide Perovskite (CH3NH3PbI3) nanorods whose diameter and length are dictated by the inner size of porous silicon nanotube templates have been grown, characterized and compared to bulk perovskites in the form…

Mesoscale and Nanoscale Physics · Physics 2017-03-01 Neta Arad-Vosk , Naama Rozenfeld , Roberto Gonzalez-Rodriguez , Jeffery L. Coffer , Amir Saar

\ We combine density functional theory and molecular dynamics simulations to investigate the impact of Sr concentration and atomic ordering on the structural and ferroelectric properties of (Ba, Sr)TiO$_3$. On one hand, the macroscopic…

Materials Science · Physics 2023-08-28 Aris Dimou , Ankita Biswas , Anna Gruenebohm

It is demonstrated based on continuum mechanics modeling and simulation that it is possible to obtain polycrystalline ceramic ferroelectric materials which beggars single crystals in electromechanical properties. The local inhomogeneities…

Materials Science · Physics 2010-11-15 K. P. Jayachandran , J. M. Guedes , H. C. Rodrigues

We describe ferroelectric thin films with circular electrodes and develop a thermodynamic theory that explains previously mysterious experiments. It is found to be especially useful for restricted geometries such as microstructures for…

Materials Science · Physics 2015-06-19 Laurent Baudry , Anaïs Sené , Igor A. Luk'yanchuk , Laurent Lahoche , James F Scott

We analyze thermodynamic models for fluid systems in equilibrium based on a virial expansion of the internal energy in terms of the volume density. We prove that the models, formulated for finite-size systems with $N$ particles, are exactly…

Statistical Mechanics · Physics 2026-04-21 Xin An , Francesco Giglio , Giulio Landolfi

The $\phi(\kpp)\sim \kpp$ relation is called polarization structure. By density functional calculations, we study the polarization structure in ferroelectric perovskite PbTiO$_3$, revealing (1) the $\kpp$ point that contributes most to the…

Materials Science · Physics 2009-01-08 Yanpeng Yao , Huaxiang Fu

The symmetry conditions for the development of a macroscopic electrical polarization as a secondary order parameter to a magnetic ordering transition, and the constraints on the direction of the polarization vector, are determined by a…

Strongly Correlated Electrons · Physics 2009-11-11 P. G. Radaelli , L. C. Chapon

Magnetoelectric (ME) effect is recognized for its utility for low-power electronic devices.Largest ME coefficients are often associated with phase transitions in which ferroelectricity is induced by magnetic order. Unfortunately, in these…

Recent advances in ferroelectrics highlight the role of three-dimensional (3D) polar entities in forming topological polar textures and generating giant electromechanical responses, during polarization rotation. However, current electron…

Materials Science · Physics 2025-06-10 Jinho Byun , Keeyong Lee , Myoungho Jeong , Eunha Lee , Jeongil Bang , Haeryong Kim , Geun Ho Gu , Sang Ho Oh

The influence of the B-site ion substitutions in (1-x)(Bi1/2Na1/2)TiO3-xBaTiO3 system of solid solutions on the relative stability of the ferroelectric and antiferroelectric phases has been studied. The ions of zirconium, tin, along with…

Materials Science · Physics 2017-06-22 V. M. Ishchuk , D. V. Kuzenko , V. L. Sobolev

The study of strong electron correlations in transition metal oxides with modern microscopy and diffraction techniques unveiled a fascinating world of nanosize textures in the spin, charge, and crystal structure. Examples range from high…

Strongly Correlated Electrons · Physics 2007-05-23 G. Papavassiliou , M. Pissas , M. Belesi , M. Fardis , D. Stamopoulos , A. Kontos , M. Hennion , J. Dolinsek , J. P. Ansermet , C. Dimitropoulos

We present a model to study effects from an external magnetic field, chemical potential, and finite size, on the phase structure of a massive four- and six-fermion interacting system. These effects are introduced by a method of…

Other Condensed Matter · Physics 2018-04-04 Emerson B. S. Corrêa , César A. Linhares , Adolfo P. C. Malbouisson

Micrometric domains of precise ferroelectric polarization have been written into a 20 nm thick epitaxial thin film of BaTiO3(001) (BTO) on a Nb doped SrTiO3 (STO) substrate using PiezoForce Microscopy (PFM). The domain dependent electronic…

Materials Science · Physics 2018-06-06 N. Barrett , J. Rault , I. Krug , B. Vilquin , G. Niu , B. Gautier , D. Albertini , O. Renault

The facile chemical precipitation method and subsequent thermal treatment were shown to be suitable for preparation of crystalline ThO2 nanoparticles(NPs) in a wide range of particle sizes (from 2.5 to 34.3 nm). The obtained NPs were…

The nature of the "forbidden" local- and long-range polar order in nominally nonpolar paraelectric phases of ferroelectric materials has been an open question since the discovery of ferroelectricity in oxide perovskites (ABO3). A currently…

In polar oxide interfaces phenomena such as conductivity, superconductivity, magnetism, one-dimensional conductivity and Quantum Hall states can emerge at the polar discontinuity. Combining controllable ferroelectricity at such interfaces…

Strongly Correlated Electrons · Physics 2020-07-06 Gal Tuvia , Yiftach Frenkel , Prasanna K. Rout , Itai Silber , Beena Kalisky , Yoram Dagan

Despite multiple efforts, there exist many unsolved fundamental problems related with detection and analysis of internal polarization structure and related phase transitions in ferroelectric domain walls. Their solution can be very…

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