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The properties of ferroelectric materials, such as lead zirconate titanate (PZT), are heavily influenced by the interaction of defects with domain walls. These defects are either intrinsic, or are induced by the addition of dopants. We…

Materials Science · Physics 2013-12-18 Anand Chandasekaran , Dragan Damjanovic , Nava Setter , Nicola Marzari

Resistive and magnetization properties have been measured in BiS$_2$-based samples CeO$_{1-x}$F$_{x}$BiS$_{2}$ with a systematic substitution of O with F (0 $<$ x $<$ 0.6). In contrast to the band structure calculations, it is found that…

Superconductivity · Physics 2013-01-01 Jie Xing , Sheng Li , Xiaxing Ding , Huang Yang , Hai-Hu Wen

Ab initio phonon calculations for the nonpolar reference structures of the (001), (110), and (111) PbZrO_3/PbTiO_3 [1:1] superlattices are presented. The unstable polar modes in the tetragonal (001) and (110) structures are confined in…

Materials Science · Physics 2009-11-07 Claudia Bungaro , K. M. Rabe

We report first-principles calculations on the coupling between epitaxial strain, polarization, and oxygen octahedra rotations in monodomain (PbTiO$_{3}$)$_{n}$/(SrTiO$_{3}$)$_{n}$ superlattices. We show how the interplay between (i) the…

Materials Science · Physics 2015-05-28 Pablo Aguado-Puente , Pablo García-Fernández , Javier Junquera

We perform real-time stereoscopic wide-area imaging of a ferroelectric phase-transition in KTN:Li. Spontaneous polarization is observed to form a thermally hysteretic 3D lattice of mutually interlinked closed-flux patterns that spans the…

CuFeO_2 is one of the multiferroic materials and is the first case that the electric polarization is not explained by the magnetostriction model or the spin-current model. We have studied this material using soft x-ray resonant diffraction…

Achieving electrostatic control of quantum phases is at the frontier of condensed matter research. Recent investigations have revealed superconductivity tunable by electrostatic doping in twisted graphene heterostructures and in…

Spin-polarized two-dimensional electron gas (2DEG) at oxide interfaces is an emerging physical phenomenon, which is technologically important for potential device applications. However, most previous relevant studies only focused on the…

Strongly Correlated Electrons · Physics 2021-11-01 Yakui Weng , Wei Niu , Xin Huang , Ming An , Shuai Dong

Synthetic crystal lattices provide ideal environments for simulating and exploring the band structure of solid-state materials in clean and controlled experimental settings. Physical realisations have, so far, dominantly focused on…

Mesoscale and Nanoscale Physics · Physics 2020-10-12 L. Pickup , H. Sigurdsson , J. Ruostekoski , P. G. Lagoudakis

Functional properties of ferroelectrics and their change with time depend crucially on the defect structure. In particular, point defects and bias fields induced by defect dipoles modify the field hysteresis and play an important role in…

Materials Science · Physics 2025-09-23 Sheng-Han Teng , 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…

It is known that the permittivity of the ferroelectric films is affected by several phenomena, which deteriorate the material quality (e.g. the redistribution of the crystal lattice defects, appearance of the electrode-adjacent…

Materials Science · Physics 2008-12-12 Pavel Mokry

Moire materials, created by lattice-mismatch or/and twist-angle, have spurred great interest in excavating novel quantum phases of matter. Latterly, emergent interfacial ferroelectricity has been surprisingly found in spatial inversion…

Metal-organic frameworks comprehend a wide class of hybrid organic-inorganic materials with general structure A$_m$BX$_n$, with $A$ and $X$ being organic molecules and B a metal cation. This often results in enhanced structural flexibility…

Materials Science · Physics 2022-04-21 Francesco Foggetti , Alessandro Stroppa , Sergey Artyukhin

Ferroelectric materials have promising applications in solar-energy conversion and electro-optic devices. The internal gradient fields produced by the macroscopic polarization may improve electronic and transport semiconducting properties.…

We carry out first-principles calculations of the nonlinear dielectric response of short-period ferroelectric superlattices. We compute and store not only the total polarization, but also the Wannier-based polarizations of individual atomic…

Materials Science · Physics 2009-12-17 Xifan Wu , Massimiliano Stengel , Karin M. Rabe , David Vanderbilt

A strong coupling between electric polarization and elastic deformation in solids is an important factor in creating useful electromechanical nanodevices. Such coupling is typically allowed in insulating materials with inversion symmetry…

Materials Science · Physics 2024-10-30 Hidefumi Takahashi , Yusuke Kurosaka , Kenta Kimura , Akitoshi Nakano , Shintaro Ishiwata

Competing ferroelectric and charge density wave phases have been proposed to be present in the electron-phonon coupled LaO$_{1-x}$F$_{x}$BiS$_{2}$ superconductor. The lattice instability arises from unstable phonon modes that can break the…

Superconductivity · Physics 2017-04-06 A. Athauda , C. Hoffman , Y. Ren , S. Aswartham , J. Terzic , G. Cao , X. Zhu , D. Louca

We report studies of ferroelectricity in ultra-thin perovskite films with realistic electrodes. The results reveal stable ferroelectric states in thin films less than 10 \AA thick with polarization normal to the surface. Under short-circuit…

Materials Science · Physics 2007-05-23 Na Sai , Alexie M. Kolpak , Andrew M. Rappe

The wake-up phenomenon widely exists in hafnia-based ferroelectric capacitors, which causes device parameter variation over time. Crystallization at higher temperatures have been reported to be effective in eliminating wake-up, but high…

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