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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

Based on a first-principles based multiscale approach, we study the polarity (P) of ferroelastic twin walls in SrTiO$_3$. In addition to flexoelectricity, which was pointed out before, we identify two new mechanisms that crucially…

Materials Science · Physics 2018-03-30 Andrea Schiaffino , Massimiliano Stengel

Piezoelectricity is inherent only in noncentrosymmetric materials, but a piezoelectric response can also be obtained in centrosymmetric crystals if subjected to inhomogeneous deformation. This phenomenon, known as flexoelectricity, affects…

Materials Science · Physics 2007-10-22 P. Zubko , G. Catalan , A. Buckley , P. R. L. Welche , J. F. Scott

We developed a Landau type theory for the description of polar phenomena in low-dimensional transition metal dichalcogenides (TMDs), specifically exploring flexoelectric origin of the polarization induced by a spontaneous bending and by…

The influence of the flexoelectric and rotostriction coupling on the phase diagrams of ferroelastic-quantum paraelectric SrTiO3 films was studied using Landau-Ginzburg-Devonshire (LGD) theory. The phase diagrams in coordinates temperature -…

Materials Science · Physics 2015-06-04 A. N. Morozovska , E. A. Eliseev , S. L. Bravina , A. Y. Borisevich , S. V. Kalinin

We consider theoretically the influence of the flexoelectric coupling on the spatial distribution and temperature behavior of spontaneous polarization for several types of stable domain structure in thin ferroelectric films, such as stripe…

Materials Science · Physics 2021-08-25 Anna N. Morozovska , Eugene A. Eliseev , Sergei V. Kalinin , Riccardo Hertel

We predicted the ferroelectric-ferromagnetic multiferroic properties of EuTiO3 nanowires and generated the phase diagrams in coordinates of temperature and wire radii. The calculations were performed within the Landau-Ginzburg-Devonshire…

Flexoelectricity describes the coupling between polarization and strain/stress gradients in insulating crystals. In this paper, using the Landau-Ginsburg-Devonshire phenomenological approach, we found that flexoelectricity could increase…

Materials Science · Physics 2015-06-04 Hao Zhou , Jiawang Hong , Yihui Zhang , Faxin Li , Yongmao Pei , Daining Fang

Layers of perovskites, found in 3D materials, 2D heterostructures, and nanotubes, often distort from high symmetry to facilitate dipole polarisation that is exploitable in many applications. Using density-functional theory calculations,…

Materials Science · Physics 2025-11-14 Shaowen Xu , Jeffrey R. Reimers , Fanhao Jia , Wei Ren

The ground-state structural and electronic properties of ferroelectric BiFeO$_3$ are calculated using density functional theory within the local spin-density approximation and the LSDA+U method. The crystal structure is computed to be…

Materials Science · Physics 2007-05-23 J. B. Neaton , C. Ederer , U. V. Waghmare , N. A. Spaldin , K. M. Rabe

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

Flexoelectricity is a universal effect that generates electric polarization due to broken inversion symmetry caused by local strain gradient. The large strain gradient at nanoscale makes flexo-electric effects, especially in nanoscopic…

Materials Science · Physics 2025-05-30 Xin Li , Guodong Ren , Yu Yun , Arashdeep Singh Thind , Amit Kumar Shah , Abbey Bowers , Rohan Mishra , Xiaoshan Xu

Flexoelectricity - polarization induced by strain gradients - offers a route to polar functionality in centrosymmetric dielectrics, where traditional piezoelectric effects are absent. This study investigates the flexoelectric effect in…

Since conduction electrons of a metal screen effectively the local electric dipole moments, it was widely believed that the ferroelectric-like distortion cannot occur in metals. Recently, metallic LiOsO3, was discovered to be the first…

Materials Science · Physics 2014-10-01 Hongjun Xiang

Full pattern Le-Bail refinement using x-ray powder diffraction profiles of Sr1-xCaxTiO3 for x=0.02, 0.04 in the temperature range 12 to 300 K reveals anomalies in the unit cell parameters at 170, 225 K due to an antiferrodistortive (cubic…

Materials Science · Physics 2015-05-13 Sanjay Kumar Mishra , Dhananjai Pandey

Flexoelectricity (coupling between polarization and strain gradients) is a property of all dielectric materials that has been theoretically known for decades, but it is only relatively recently that it has begun to attract experimental…

Materials Science · Physics 2018-10-17 P. Vales-Castro , Krystian Roleder , Lei Zhao , Jing-Feng Li , Dariusz Kajewski , Gustau Catalan

The c(2$\times$2) reconstruction of (001) PbTiO$_3$ surfaces is studied by means of first principles calculations for paraelectric (non-polar) and ferroelectric ([001] polarized) films. Analysis of the atomic displacements in the…

Materials Science · Physics 2009-11-10 Claudia Bungaro , K. M. Rabe

We have measured the bending-induced polarization of Pb(Mg1/3Nb2/3)O3-PbTiO3 single crystals with compositions at the relaxor-ferroelectric phase boundary. The crystals display very large flexoelectricity, with flexocoupling coefficients an…

Materials Science · Physics 2015-06-18 Jackeline Narvaez , Gustau Catalan

The coupling between antiferrodistortion (AFD) and ferroelectric (FE) polarization, universal for all tilted perovskite multiferroics, is known to strongly correlate with domain wall functionalities in the materials. The intrinsic…

Applied Physics · Physics 2019-09-18 M. J. Han , E. A. Eliseev , A. N. Morozovska , Y. L. Zhu , Y. L. Tang , Y. J. Wang , X. W. Guo , X. L. Ma

Recent advances in moire engineering provide new pathways for manipulating lattice distortions and electronic properties in low-dimensional materials. Here, we demonstrate that twisted stacking can induce dipolar vortices in metallic SrRuO3…

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