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Related papers: Flexoelectric effect modeling

200 papers

The dynamical, dielectric and elastic properties of GeTe, a ferroelectric material in its low temperature rhombohedral phase, have been investigated using first-principles density functional theory. We report the electronic energy bands,…

Materials Science · Physics 2009-01-06 R. Shaltaf , E. Durgun , J. -Y. Raty , Ph. Ghosez , X. Gonze

Ferroelectric materials are established candidates for beyond complementary metal-oxide-semiconductor technology, owing to their non-volatile spontaneous electrical polarization. The recent boom in electric dipole texture engineering and…

Materials Science · Physics 2026-01-29 Bixin Yan , Valentine Gillioz , Ipek Efe , Morgan Trassin

Flexoelectricity is defined as the coupling between strain gradient and polarization, which is expected to be remarkable at nanoscale. However, measuring the flexoelectricity at nanoscale is challenging. In the present work, an analytical…

Materials Science · Physics 2016-05-03 Hao Zhou , Yongmao Pei , Jiawang Hong , Daining Fang

The electronic functionality of thin films is governed by their interfaces. This is very important for the ferroelectric (FE) state which depends on thin-film clamping and interfacial charge transfer. Here we show that in a heterostructure…

Mesoscale and Nanoscale Physics · Physics 2020-02-24 Michael Huth , Achim Rippert , Roland Sachser , Lukas Keller

Gadolinium molybdate is a classical example of an improper ferroelectric and ferroelastic material. It is established that the spontaneous polarization arises as a secondary effect, induced by a structural instability in the paraelectric…

Materials Science · Physics 2021-11-29 Inger-Emma Nylund , Maria Tsoutsouva , Tor Grande , Dennis Meier

Flexoelectric effect is the coupling between strain, polarization and their gradients, which are prominent at the nanoscale. Although this effect is important to understand nanostructures, such as domain walls in ferroelectrics, its…

Materials Science · Physics 2018-01-17 Yu-Jia Wang , Jiangyu Li , Yin-Lian Zhu , Xiu-Liang Ma

The traditional derivation of the elastic anomalies associated with ferroelectric (FE) phase transitions in the framework of the Landau theory is combined with the piezoelectric constitutive relations instead of being explicitly carried out…

Materials Science · Physics 2016-05-25 F. Cordero , F. Craciun , F. Trequattrini , C. Galassi

Ultrafast electron diffraction/microscopy technique enables us to investigate the nonequilibrium dynamics of crystal structures in the femtosecond-nanosecond time domain. However, the electron diffraction intensities are in general…

Materials Science · Physics 2024-07-10 Toshiya Shiratori , Jumpei Koga , Takahiro Shimojima , Kyoko Ishizaka , Asuka Nakamura

The electrical polarization switching on stoichiometric GaFeO$_{3}$ single crystal was measured, and a new model of atomic displacements responsible for the polarization reverse was proposed. The widely adapted mechanism of polarization…

Recent theoretical studies show that nanoscale contact on dielectric substrates can induce flexoelectric polarization large enough to drive electron transfer. This has been supported by experimental evidence, indicating that contact…

Applied Physics · Physics 2026-03-10 Han Hu , Xiaoying Zhuang , Timon Rabczuk

Density functional theory (DFT) calculation has had huge success as a tool capable of predicting important physical and chemical properties of condensed matter systems. We calculate the electric dipole moment of a molecule by using the…

Chemical Physics · Physics 2019-03-12 Byeong June Min

Electrostatic interactions play an important role in numerous self-assembly phenomena, including colloidal aggregation. Although colloids typically have a dielectric constant that differs from the surrounding solvent, the effective…

Soft Condensed Matter · Physics 2018-09-17 Kipton Barros , Erik Luijten

Recent theoretical advances have established that the electric polarization in an insulating crystal can be viewed as a multivalued quantity that is determined by certain Berry phases associated with the occupied Bloch bands. The…

Materials Science · Physics 2007-05-23 David Vanderbilt

Dabconium hybrid perovskites include a number of recently-discovered ferroelectric phases with large spontaneous polarisations. The origin of ferroelectric response has been rationalised in general terms in the context of hydrogen bonding,…

Materials Science · Physics 2020-06-11 Dominic J. W. Allen , Nicholas C. Bristowe , Andrew L. Goodwin , Hamish H. -M. Yeung

Theoretical analysis based on the Landau-Ginzburg-Devonshire (LGD) theory is used to show that the joint action of flexoelectric effect and rotostriction leads to a large spontaneous in-plane polarization (~ 1-5 muC/cm2) and pyroelectric…

Materials Science · Physics 2015-06-03 A. N. Morozovska , E. A. Eliseev , S. V. Kalinin , Long Qing Chen , Venkatraman Gopalan

Classical electrodynamics uses a dielectric constant to describe the polarization response of electromechanical systems to changes in an electric field. We generalize that description to include a wide variety of responses to changes in the…

Statistical Mechanics · Physics 2021-09-10 Yiwei Wang , Chun Liu , Bob Eisenberg

Theoretical analysis based on the Landau-Ginzburg-Devonshire (LGD) theory is used to show that the product effect of flexoelectricity and rotostriction can lead to a spontaneous polarization in the vicinity of antiphase boundaries,…

A dynamic diffraction theory is developed for describing electron diffraction by dielectric crystals in a strong electromagnetic field. It is shown that additional diffraction maxima arise in an electromagnetic field, their intensity…

Atomic Physics · Physics 2018-02-15 Yulian Shabolovski

Freestanding slender fluid filaments of room temperature ferroelectric nematic liquid crystals are described. They are stabilized either by internal electric fields of bound charges formed due to polarization splay, or by external voltage…

Soft Condensed Matter · Physics 2023-08-01 Marcell Tibor Máthé , Kelum Perera , Ágnes Buka , Péter Salamon , Antal Jákli

We provide a unified semiclassical theory for thermoelectric responses of any observable represented by an operator $\hat{\boldsymbol{\theta}}$ that is well-defined in periodic crystals. The Einstein and Mott relations are established…

Mesoscale and Nanoscale Physics · Physics 2020-02-14 Liang Dong , Cong Xiao , Bangguo Xiong , Qian Niu