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The screening efficiency of a metal-ferroelectric interface plays a critical role in determining the polarization stability and hence the functional properties of ferroelectric thin films. Imperfect screening leads to strong depolarization…

We present a spatial and wave-vector resolved study of the electronic structure of micron sized ferroelectric domains at the surface of a BaTiO3(001) single crystal. The n-type doping of the BaTiO3 is controlled by in-situ vacuum and oxygen…

Materials Science · Physics 2018-06-12 J. E. Rault , J. Dionot , C. Mathieu , V. Feyer , C. M. Schneider , G. Geneste , N. Barrett

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

We have constructed the surface phase diagram of the BaTiO$_{3}$(001) surface by employing an evolutionary algorithm for surface structure prediction, where the ferroelectric polarization is included as a degree of freedom. Among over 1000…

Materials Science · Physics 2015-12-09 Pengcheng Chen , Yong Xu , Na Wang , Artem R. Oganov , Wenhui Duan

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

Total energies, electronic structure, surface energies, polarization, potentials and charge densities were studied for slabs of BaTiO_3 using the Linearized Augmented Plane Wave (LAPW) method. The depolarization field inhibits…

mtrl-th · Physics 2008-02-03 Ronald E. Cohen

For the ferroelectric perovskite compounds BaTiO3 and PbTiO3, we have studied the effects of external electric fields on the structural properties of the (001) surfaces. The field-induced changes in the surface interlayer spacings and…

Materials Science · Physics 2009-10-31 B. Meyer , David Vanderbilt

We show that, contrary to common belief, the depolarizing electric field generated by bound charges at thin-film surfaces can have a substantial impact on the domain structure of an improper ferroelectric with topological defects. In…

Materials Science · Physics 2025-10-16 Aaron Merlin Müller , Amadé Bortis , Arkadiy Simonov , Manfred Fiebig , Thomas Lottermoser

Polar discontinuities and structural changes at oxide interfaces can give rise to a large variety of electronic and ionic phenomena. Related effects have been intensively studied in epitaxial systems, including ferroelectric domain walls…

We consider a typical heterostructure domain patterned ferroelectric film/ultra thin dielectric layer/ semiconductor, where the semiconductor can be an electrolyte, paraelectric or multi layered graphene. Unexpectedly we have found that the…

We have revealed the decisive role of grain-boundary-induced strain fields in electron scattering in polycrystalline graphene. To this end, we have formulated the model based on Boltzmann transport theory which properly takes into account…

Materials Science · Physics 2022-05-24 S. E. Krasavin , V. A. Osipov

Migration of charged point defects triggered by the local random depolarization field is shown to plausibly explain aging of poled ferroelectric ceramics providing reasonable time and acceptor concentration dependences of the emerging…

Materials Science · Physics 2010-01-22 Yu. A. Genenko , J. Glaum , O. Hirsch , H. Kungl , M. J. Hoffmann , T. Granzow

Ferroic domain walls could play an important role in microelectronics, given their nanometric size and often distinct functional properties. Until now, devices and device concepts were mostly based on mobile domain walls in ferromagnetic…

We study the effect of depolarization field related with inhomogeneous polarization distribution, strain and surface energy parameters on a domain wall profile near the surface of a ferroelectric film within the framework of…

The surface charge associated with the spontaneous polarization in ferroelectrics is well known to cause a depolarizing field that can be particularly detrimental in the thin-film geometry desirable for microelectronic devices. Incomplete…

Materials Science · Physics 2021-09-10 Chiara Gattinoni , Nicola A. Spaldin

We apply inline electron holography to investigate the electrostatic potential across an individual BaZr0.9Y0.1O3 grain boundary. With holography, we measure a grain boundary potential of -1.3 V. Electron energy loss spectroscopy analyses…

The influence of depolarizing field on the magnitude and stability of a uniform polarization in ferroelectric capacitors and tunnel junctions is studied using a nonlinear thermodynamic theory. It is predicted that, in heterostructures…

Materials Science · Physics 2009-11-11 N. A. Pertsev , H. Kohlstedt

For over 70 years, ferroelectric materials have been remaining one of the central research topics for condensed matter physics and material science, the interest driven both by fundamental science and applications. However, ferroelectric…

Materials Science · Physics 2016-12-28 Sergei V. Kalinin , Yunseok Kim , Dillon Fong , Anna Morozovska

Using the self-consistent Landau-Ginzburg-Devonshire approach we simulate and analyze the spontaneous formation of the domain structure in thin ferroelectric films covered with the surface screening charge of the specific nature…

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
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