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Related papers: High Entropy Oxide Relaxor Ferroelectrics

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The photocatalytic water-splitting process is thermodynamically challenging and requires catalysts with suitable band structures, as well as the presence of supporting cocatalysts. By considering the unique charge carrier mobility in…

Chemical Physics · Physics 2025-10-20 Ho Truong Nam Hai , Makoto Arita , Kaveh Edalati

Similar to other perovskites in its family, $\mathrm{SrTiO_{3}}$ exhibits a significant softening of the ferroelectric mode with decreasing temperature, a behavior that typically heralds the onset of a ferroelectric transition. However,…

Quantum Physics · Physics 2026-03-02 Francesco Libbi , Lorenzo Monacelli , Boris Kozinsky

A novel lead-free tungsten bronze type ceramic Sr5BiTi3Nb7O30, was prepared by a conventional solid-state reaction route. The room-temperature crystal structure shows an average structure with centro-symmetric space group P4/mbm identified…

Temperature measurements of dielectric permittivity are performed for nonstoichiometric ferroelectric lead germanate Pb$_{4.95}$Ge$_3$O$_{11}$ and multiferroic solid solution [N(C$_2$H$_5$)$_4$]$_2$CoClBr$_3$. Unlike the heat capacity data,…

Materials Science · Physics 2024-01-18 I. S. Girnyk , B. I. Horon , V. B. Kapustianyk , O. S. Kushnir , R. Y. Shopa

First principles electronic structure calculations have been carried out on ordered double perovskites Sr_2B'B"O_6 (for B' = Cr or Fe and B" 4d and 5d transition metal elements) with increasing number of valence electrons at the B-sites,…

Materials Science · Physics 2009-11-13 T. K. Mandal , C. Felser , M. Greenblatt , J. Kubler

A thorough investigation of single crystalline magnetite using broadband dielectric spectroscopy and other methods provides evidence for relaxor-like polar order in Fe3O4. We find long-range ferroelectric order to be im-peded by the…

Strongly Correlated Electrons · Physics 2011-06-10 F. Schrettle , S. Krohns , P. Lunkenheimer , V. A. M. Brabers , A. Loidl

By using first-principles methods based on density functional theory we revisited the zero-temperature phase diagram of stoichiometric SrCoO3, a ferromagnetic metallic perovskite that undergoes significant structural, electronic, and…

Materials Science · Physics 2016-12-21 Pablo Rivero , Claudio Cazorla

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

Increasing demands for electric field-tunable electric, magnetic, and orbital (EMO) materials has renewed interests in ferroelectricity and its coupling to EMO properties in complex perovskite oxides. The historic design strategy to achieve…

Materials Science · Physics 2012-04-12 James M. Rondinelli , Craig J. Fennie

Hydrostatic pressure and oxygen vacancies usually have deleterious effects on ferroelectric materials because both tend to reduce their polarization. In this work we use first-principles calculations to study an important class of…

Materials Science · Physics 2021-12-15 Chengliang Xia , Yue Chen , Hanghui Chen

Molecular ferroelectrics have captured immense attention due to their superiority over inorganic oxide ferroelectrics, such as environmentally friendly, low-cost, flexible, foldable. However, the mechanisms of ferroelectric switching and…

Chemical Physics · Physics 2021-06-18 Xiaoqing Zhu , Wenbin Fan , Wei Ren , Yongle Li

Ultrathin ferroelectric films with out-of-plane polarization and high Curie temperatures are key to miniaturizing electronic devices. Most ferroelectrics employed in devices are proper ferroelectrics, where spontaneous polarization is the…

The bilayer perovskite La$_3$Ni$_2$O$_7$ has recently been found to enter a superconducting state under hydrostatic pressure at temperatures as high as 80 K. The onset of superconductivity is observed concurrent with a structural transition…

Superconductivity · Physics 2024-04-15 Luke C. Rhodes , Peter Wahl

Lead-free antiferroelectric perovskite $\rm AgNbO_3$ is nowadays attracting extensive research interests due to its promising applications in energy storage. Although great progress has been made in optimizing the material performance,…

Materials Science · Physics 2025-11-18 Huazhang Zhang , Konstantin Shapovalov , Safari Amisi , Philippe Ghosez

Using data obtained from first-principles calculations, we show that the position of the morphotropic phase boundary (MPB) and transition temperature at MPB in ferroelectric perovskite solutions can be predicted with quantitative accuracy…

Materials Science · Physics 2009-11-11 Ilya Grinberg , Matthew R. Suchomel , P. K. Davies , Andrew M. Rappe

Ferroelectric ceramics (Ba0.85Ca0.15)(Ti0.9Zr0.1-xSnx)O3 (x=0.00, 0.02, 0.04, 0.06) were prepared by a sol-gel method. Structural investigation revealed the co-existence of tetragonal (P4mm) and orthorhombic (Pmm2) symmetries at room…

Lithium doped sodium niobate is an ecofriendly piezoelectric material that exhibits a variety of structural phase transitions with composition and temperature. We have investigated the phase stabilities of an important composition…

First principles calculations are used to investigate the effects of epitaxial strain on the structure of the perovskite oxide CaTiO$_3$, with particular focus on the stabilization of a ferroelectric phase related to a polar instability…

Materials Science · Physics 2013-05-29 C. -J. Eklund , C. J. Fennie , K. M. Rabe

Single-phase perovskite 5 at.% Mn-doped and undoped polycrystalline BaTiO3 thin films have been grown under different oxygen partial pressures by pulsed laser deposition on platinum-coated sapphire substrates. Ferroelectricity is only…

Complex electrical permittivity measurements in (1-x)[Pb(Mg1/3 Nb2/3)O3]-xPbTiO3 ceramics for 0.10 x 0.40 were performed in the frequency and temperature range from 1 kHz to 100 kHz and from 15 to 600 K, respectively. Unexpected dielectric…

Materials Science · Physics 2009-11-10 M. H. Lente , A. L. Zanin , E. R. M. Andreeta , I. A. Santos , D. Garcia , J. A. Eiras