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Oxyhydroxide minerals like FeOOH have been a research focus in geology for studying the Earth interior, and also in chemistry for studying oxygen electrocatalysis activity. In this paper we provide first-principles evidence of a new class…

材料科学 · 物理学 2018-12-04 Menghao Wu , Tianci Duan , Chengliang Lu , Huahua Fu , Shuai Dong , Junming Liu

Motivated by the potential applications of their intrinsic cross-coupling properties, the interest in multiferroic materials has constantly increased recently, leading to significant experimental and theoretical advancements. From the…

材料科学 · 物理学 2015-02-11 Paolo Barone , Silvia Picozzi

The nature of the tetragonal-to-orthorhombic structural transition at $T_s\approx90$ K in single crystalline FeSe is studied using shear-modulus, heat-capacity, magnetization and NMR measurements. The transition is shown to be accompanied…

超导电性 · 物理学 2015-06-22 A. E. Böhmer , T. Arai , F. Hardy , T. Hattori , T. Iye , T. Wolf , H. v. Löhneysen , K. Ishida , C. Meingast

BaTiO3 is a classical ferroelectric studied for last one century for its ferroelectric properties. Lattice dynamics of BaTiO3 is crucial as the utility of devices is governed by phonons. In this work, we show that traditional…

材料科学 · 物理学 2020-12-24 Vivek Dwij , Binoy Krishna De , Gaurav Sharma , D. K. Shukla , M. K. Gupta , R. Mittal , Vasant Sathe

Domain boundaries in ferroelectric materials exhibit rich and diverse physical properties distinct from their parent materials and have been proposed for novel applications in nanoelectronics and quantum information technology. Due to their…

介观与纳米尺度物理 · 物理学 2021-09-14 Fan Zhang , Zhe Wang , Lixuan Liu , Anmin Nie , Yongji Gong , Wenguang Zhu , Chenggang Tao

We present molecular dynamics simulations of a realistic model of an ultrathin film of BaTiO$_3$ sandwiched between short-circuited electrodes to determine and understand effects of film thickness, epitaxial strain and the nature of…

材料科学 · 物理学 2009-11-13 Jaita Paul , Takeshi Nishimatsu , Y. Kawazoe , Umesh V. Waghmare

We present a strategy for increasing thermoelectric performance by invoking ferroelectric distortion in a transition-metal oxide. By using an ab initio calculation approach with the Boltzmann transport equation, a large Seebeck coefficient…

材料科学 · 物理学 2015-06-23 Hiroaki Saijo , Kunihiko Yamauchi , Koun Shirai , Tamio Oguchi

The recent discovery of ferroelectric nematic liquid crystalline phases marks a major breakthrough in soft matter research. An intermediate phase, often observed between the nonpolar and the ferroelectric nematic phase, shows a distinct…

Composites of ferroelectric and paraelectric perovskites have attracted a lot of attention due to their application potential in energy storage as well as novel computing and memory devices. So far the main focus of research has been on…

材料科学 · 物理学 2025-07-23 Sheng-Han Teng , Chinwendu Anabaraonye , Anna Grünebohm

Fluorite-type $\mathrm{HfO_2}$-based ferroelectric (FE) oxides have rekindled interest in FE memories due to their compatibility with silicon processing and potential for high-density integration. The polarization characteristics of FE…

Stable and switchable polarization of ferroelectric materials opens a possibility to electrically control their functional behavior. A particularly promising approach is to employ ferroelectric tunnel junctions where the polarization…

Prediction of properties from composition is a fundamental goal of materials science and can greatly accelerate development of functional materials. It is particularly relevant for ferroelectric perovskite solid solutions where…

We studied the ferroelectric and ferromagnetic properties of compressive strained and unstrained BiMnO3 thin films grown by rf-magnetron sputtering. BiMnO3 samples exhibit a 2D cube-on-cube growth mode and a pseudo-cubic struc-ture up to a…

材料科学 · 物理学 2013-06-06 G. M. De Luca , D. Preziosi , F. Chiarella , R. Di Capua , S. Gariglio , S. Lettieri , M. Salluzzo

Strong coupling between electrical and mechanical phenomena and the presence of switchable polarization have enabled applications of ferroelectric materials for nonvolatile memories (FeRAM), data storage, and ferroelectric lithography.…

Nanostructured ferroelectrics display exotic multidomain configurations resulting from the electrostatic and elastic boundary conditions they are subject to. While the ferroelectric domains appear frozen in experimental images, atomistic…

We have investigated the magnetic and dielectric properties of orthorhombic Eu$_{1-y}$Y$_y$MnO$_3$ ($0\leq y\leq 0.6$) single crystals without the presence of the 4$f$ magnetic moments of the rare-earth ions. In $y\geq 0.2$, the…

强关联电子 · 物理学 2015-05-28 Mitsuru Akaki , Masaaki Hitomi , Mizuaki Ehara , Daisuke Akahoshi , Hideki Kuwahara

The dynamic structures of the cubic and tetragonal phase in BaTiO3 and its dielectric response above the cubic-to-tetragonal phase transition temperature (Tp) are studied by first-principles molecular dynamics (MD) simulation. It's shown…

材料科学 · 物理学 2015-05-20 L. Xie , Y. L. Li , R. Yu , J. Zhu

In piezoresponse force microscopy a lateral signal at the domain boundaries is occasionally observed. In recent years, a couple of experiments have been reported and varying explanations for the origin of this lateral signal have been…

材料科学 · 物理学 2016-08-14 Florian Johann , Tobias Jungk , Martin Lilienblum , Ákos Hoffmann , Elisabeth Soergel

The three primary ferroics, namely ferromagnets, ferroelectrics and ferroelastics exhibit corresponding large (or even giant) magnetocaloric,electrocaloric and elastocaloric effects when a phase transition is induced by the application of…

材料科学 · 物理学 2012-05-08 Teresa Castan , Antoni Planes , Avadh Saxena

Optimizing ferroelectrics for contemporary high-frequency applications asks for the fundamental understanding of ferroelectric switching and domain wall (DW) motion in ultrafast field pulses while the microscopic understanding of the latter…

材料科学 · 物理学 2022-04-21 Ruben Khachaturyan , Aris Dimou , Anna Grünebohm
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