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Micro-Raman spectroscopy and X-ray diffraction have been used to explore the lattice dynamics of Nb-substituted SrBi2(Ta1-xNbx)2O9 (SBTN) crystalline thin films annealed at low temperature, 700oC. It turned out that SrBi2(Ta1-xNbx)2O9 films…

Using first-principles density functional theory we predict a ferroelectric ground state -- driven by off-centering of the magnetic Mn$^{4+}$ ion -- in perovskite-structure BaMnO$_3$. Our finding is surprising, since the competition between…

Materials Science · Physics 2009-05-28 James M. Rondinelli , Aaron S. Eidelson , Nicola A. Spaldin

The most characteristic functional property of antiferroelectric materials is the possibility to induce a phase transition from a non-polar to a polar phase by an electric field. Here, we investigate the effect of this field-induced phase…

Perovskite ferroelectric oxides are usually considered to be brittle materials, however, recent work [Dong et al., Science 366, 475 (2019)] demonstrated the super-elasticity in the freestanding BaTiO3 thin films. This property may originate…

Materials Science · Physics 2020-04-15 Changqing Guo , Guohua Dong , Ziyao Zhou , Ming Liu , Houbing Huang , Jiawang Hong , Xueyun Wang

Chalcogenide perovskites have received considerable interest in photovoltaic research community owing to their stability (thermal and aqueous), non-toxicity and lead free composition. However, to date a theoretical study mainly focusing on…

Materials Science · Physics 2022-07-13 Pooja Basera , Saswata Bhattacharya

Conventional perovskite-type ferroelectrics are based on octahedral units of oxygen, and often comprise toxic Pb to achieve robust ferroelectricity. Here, we report the ferroelectricity in a silicate-based compound, Bi2SiO5 (BSO), induced…

In the paper we consider size effects of phase transitions and polar properties of the thin antiferroelectric films. We modified phenomenological approach proposed by Kittel. The Euler-Lagrange equations were solved by direct variational…

Materials Science · Physics 2007-05-23 E. A. Eliseev , M. D. Glinchuk , A. N. Morozovska

Ferroelectrics have shown potential as a promising alternative material for future photovoltaic applications. Observance of high open circuit voltages in ferroelectric thin films, have generated considerable interest in the field of…

Materials Science · Physics 2013-04-08 Harshan Vasudevan Nampoori

Antiferroelectrics exhibit reversible antipolar-polar phase transitions under electric fields, yielding large electrostrain suitable for electromechanical devices. Nevertheless, in thin-film form, the antiferroelectric behavior is often…

Understanding the polarization switching mechanisms at play in ferroelectric materials is crucial for their exploitation in electronic devices. The conventional centrosymmetric reference structure-based mechanism which accounts for…

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

Antiferroelectrics have been recently sparking interest due to their potential use in energy storage and electrocaloric cooling. Their main distinctive feature is antiferroelectric switching, i.e. the possibility to induce a phase…

Ferroelectric photovoltaics (FPVs) have drawn much attention owing to their high stability, environmental safety, anomalously high photovoltages, coupled with reversibly switchable photovoltaic responses. However, FPVs suffer from extremely…

Materials Science · Physics 2017-11-10 Hyeon Han , Donghoon Kim , Ji Hyun Lee , Jucheol Park , Sang Yeol Nam , Mingi Choi , Kijung Yong , Hyun Myung Jang

Chalcogenide perovskites are lead-free materials for potential photovoltaic or thermoelectric applications. BaZrS$_3$ is the most studied member of this family due to its superior thermal and chemical stability, desirable optoelectronic…

Materials Science · Physics 2025-02-10 Prakriti Kayastha , Erik Fransson , Paul Erhart , Lucy D. Whalley

Multiferroic compounds have gained research attention in the field of ferroelectric photovoltaics due to the presence of transition-metal d states from magnetic ions, which tend to reduce the bandgap value. In this work,…

Materials Science · Physics 2023-11-13 L. Imhoff , M. B. Di Marco , C. Lavado , S. Barolin , M. G. Stachiotti

The ferroelectric domain structure of a freestanding BiFeO$_3$ film was visualized by ptychographic dichroic imaging with linearly polarized X-rays at the O K-edge around 530 eV. The dichroic contrast is maximized at the energy of the…

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

Optimal materials to induce bulk photovoltaic effects should lack inversion symmetry and have an optical gap matching the energies of visible radiation. Ferroelectric perovskite oxides such as BaTiO$_3$ and PbTiO$_3$ exhibit substantial…

Materials Science · Physics 2017-08-21 Hanghui Chen , Andrew J. Millis

The orthorhombically distorted perovskite NaMnF$_{3}$ has been predicted to become ferroelectric if an $a=c$ distortion of the bulk $Pnma$ structure is imposed. In order to test this prediction, NaMnF$_{3}$ thin films were grown on…

Materials Science · Physics 2017-04-05 Amit KC , Pavel Borisov , Vladimir V. Shvartsman , David Lederman

BaMF4 (M=Fe, Co, Ni and Mn) family are typical multiferroic materials, having antiferromagnetism at around liquid nitrogen temperature. In this work, polycrystalline BaFeF4 has been prepared by solid state reaction. The slight deficiency of…