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Related papers: Kinetically-stabilized Ferroelectricity in Bulk Si…

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We report the Pockels electro-optic properties of ZrO2 and HfO2 orthorhombic Pbc21 and rhombohedral R3m ferroelectric phases, and we compare them to the well-known LiNbO3 Pockels material from density functional theory calculations using…

Bulk LiOsO3 was experimentally identified as a "ferroelectric" metal where polar distortions coexist with metallicity [Shi et al., Nature Materials 12, 1024 (2013)]. It is generally believed that polar displacements in a "ferroelectric"…

Computational Physics · Physics 2019-06-12 Jinlian Lu , Gong Chen , Wei Luo , Jorge Íñiguez , Laurent Bellaiche , Hongjun Xiang

Ferroelectric order in polar liquids has been observed in numerical simulations and liquid-crystal experiments. In mean-field frameworks, this behavior is associated to sample-shape dependent, surface contribution to the free energy. This…

Chemical Physics · Physics 2026-02-24 M. G. Izzo

Going down to the limit of ultrathin films holds promise for a new generation of devices such as ferroelectric tunnel junctions or resistive memories. However, these length scales also make the devices sensitive to parasitic effects related…

While nature provides a plethora of perovskite materials, only a few exhibits large ferroelectricity and possibly multiferroicity. The majority of perovskite materials have the non-polar CaTiO$_3$(CTO)structure, limiting the scope of their…

Materials Science · Physics 2022-05-25 Hongwei Wang , Fujie Tang , Massimiliano Stengel , Hongjun Xiang , Qi An , Tony Low , Xifan Wu

Solid-state cooling presents an energy-efficient and environmentally friendly alternative to traditional refrigeration technologies that rely on thermodynamic cycles involving greenhouse gases. However, conventional caloric effects face…

Superconductivity and ferroelectricity,representing two distinct forms of ordered states, are typically not found together in the same system, making it even more difficult to create a connection between them. Here, supported by…

Superconductivity · Physics 2023-12-20 Xu Duan , Shi Liu

Crystallography and dielectric properties in Dion-Jacobson layered perovskites, CsNdNb$_2$O$_7$ and RbNdNb$_2$O$_7$, have been examined in dense polycrystalline samples, and polarization hysteresis loops that substantiate ferroelectricity…

A monoclinic phase was recently discovered near the morphotropic phase boundary in several high-performance piezoelectric perovskite solid solutions, but its properties have not been reported. In this paper the dielectric, piezo- and…

Materials Science · Physics 2016-08-31 A. A. Bokov , Z. -G. Ye

Using first-principles calculations, we predict that tunable ferroelectricity can be realized in oxide perovskites with the Grenier structure and ordered oxygen vacancies. Specifically, we show that $R_{1/3}A_{2/3}\mathrm{FeO}_{2.67}$…

Materials Science · Physics 2023-07-12 Yongjin Shin , Giulia Galli

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

We investigate the effect of polar Sr-O vacancy pairs on the electric polarization of SrMnO$_3$ (SMO) thin films using density functional theory (DFT) calculations. This is motivated by indications that ferroelectricity in complex oxides…

Materials Science · Physics 2021-05-21 Chiara Ricca , Danielle Berkowitz , Ulrich Aschauer

Mutual control of the electricity and magnetism in terms of magnetic (H) and electric (E) fields, the magnetoelectric (ME) effect, offers versatile low power-consumption alternatives to current data storage, logic gate, and spintronic…

The persistent and switchable polarization of ferroelectric materials based on HfO$_2$-based ferroelectric compounds, compatible with large-scale integration, are attractive synaptic elements for neuromorphic computing. To achieve a record…

Hardware Architecture · Computer Science 2023-09-22 Laura Bégon-Lours , Mattia Halter , Youri Popoff , Zhenming Yu , Donato Francesco Falcone , Bert Jan Offrein

Recently, based on the phase-field modeling, it was predicted that Hf1-xZrxO2 (HZO) exhibits the morphotropic phase boundary (MPB) in its compositional phase diagram. Here, we investigate the effect of structural changes between tetragonal…

Materials Science · Physics 2021-05-05 Alireza Kashir , Hyunsang Hwang

We report the growth of YFe2O4-\delta\ single crystals by the optical floating zone method, showing for the first time the same magnetization as highly stoichiometric (\delta = 0.00) powder samples and sharp superstructure reflections in…

Materials Science · Physics 2015-08-13 Thomas Mueller , Joost de Groot , Joerg Strempfer , Manuel Angst

SrTiO$_3$ is an incipient ferroelectric on the verge of a polar instability, which is avoided at low temperatures by quantum fluctuations. Within this unusual quantum paraelectric phase, superconductivity persists despite extremely dilute…

Superconductivity · Physics 2019-09-12 Ryan Russell , Noah Ratcliff , Kaveh Ahadi , Lianyang Dong , Susanne Stemmer , John W. Harter

Flexoelectricity is universal in all dielectrics, effective at high temperatures, and a promising transduction technique for nanoelectromechanical systems (NEMS). However, as flexoelectricity is still in its early stages, many aspects…

Materials Science · Physics 2024-10-03 Daniel Moreno-Garcia , Luis Guillermo Villanueva

The alkaline earth binary oxides adopt a simple rocksalt structure and form an important family of compounds because of their large presence in the earth's mantle and their potential use in microelectronic devices. In comparison to the…

Materials Science · Physics 2021-04-06 Eric Bousquet , Nicola A. Spaldin , Philippe Ghosez

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…