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相关论文: Ferroelectricity of Li-doped silver niobate (Ag,Li…

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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,…

材料科学 · 物理学 2025-11-18 Huazhang Zhang , Konstantin Shapovalov , Safari Amisi , Philippe Ghosez

ABO3 perovskite multiferroic La0.5Bi0.5Mn0.5Fe0.5O3.09 where the B-site cations is responsible for the magnetic properties and the A-site cation with lone pair electron is responsible for the ferroelectric properties was synthesized at…

材料科学 · 物理学 2008-08-25 Asish K. Kundu , R. Ranjith , V. Pralong , N. Nguyen , B. Kundys , V. Caignaert , W. Prellier , B. Raveau

We report the discovery of a geometric pathway for tuning ferroelectric properties through thermally driven reconfiguration between coexisting polar states in Li-substituted NaNbO3. Using first-principles density functional theory…

We study from first-principles calculations the ferroelectric structural phase transition of Pb$_5$Ge$_3$O$_{11}$ crystal. The calculations of phonons and Born effective charges of the paraelectric phase allow us to identify a polar…

材料科学 · 物理学 2024-01-18 Mauro Fava , William Lafargue-Dit-Hauret , Aldo H. Romero , Eric Bousquet

High-temperature phase behavior in the system LixNa1-xNbO3 has been studied by using high-resolution powder neutron diffraction. Each of the three compositions studied in the Na-rich part of the phase diagram (x = 0.03, 0.08 and 0.12) shows…

材料科学 · 物理学 2018-06-27 Charlotte Dixon , Philip Lightfoot

Antiferroelectrics are antipolar materials which possess an electric field-induced phase transition to a polar, ferroelectric phase and offer significant potential for sensing/actuation and energy-storage applications. Known…

A reorientation of the ferroelectric domains under an action of ultrasound in LiNbO3 is observed for the first time. The involvement of the ferroelectric domain boundaries is experimentally identified by the analysis of X-ray reflection and…

材料科学 · 物理学 2007-05-23 I. V. Ostrovskii , N. O. Borovoy , O. A. Korotchenkov , A. B. Nadtochii , R. G. Chupryna , .

The alkali-trihalogeno-germanates AGeX$_3$ with A a large single positive ion such as Rb, Cs, or organic radicals such as methyl ammonium (MA), and X a halogen (I, Br, Cl, F) along with the corresponding stannates (ASnX$_3$) and plumbates…

材料科学 · 物理学 2020-06-05 Santosh Kumar Radha , Walter R. L. Lambrecht

Magnetic and dielectric properties on a polycrystalline La0.7Bi0.3CrO3 have been investigated. A canted antiferromagnetic (CAF) phase transition giving weak ferromagnetism at TN = 230K has been observed. M-H at 10K shows non-saturating…

强关联电子 · 物理学 2014-03-17 Aga Shahee , Dhirendra kumar , N. P. Lalla

Single crystal synthesis, structure, electric polarization and heat capacity measurements on hexagonal InMnO3 show that this small R ion in the RMnO3 series is ferroelectric (space group P63cm). Structural analysis of this system reveals a…

材料科学 · 物理学 2015-06-15 T. Yu , P. Gao , T. Wu , T. A. Tyson , R. Lalancette

Using first principles calculations we show that several alkali lead halides potentially present collective ferroelectric polarization. This should occur at least at the nanoscale; it could be detected macroscopically provided it is not…

材料科学 · 物理学 2020-09-16 Guido Roma , Arthur Marronnier , Jacky Even

We investigate the microstructural evolution in a ferroelectric to antiferroelectric phase transition at the morphotropic phase boundary in the Bi(1-x)SmxFeO3 system. Continuous Sm3+ substitution on the A-site induces short-range…

We report a molecular dynamics study of ab initio quality of the ferroelectric phase transition in crystalline PbTiO3. We model anharmonicity accurately in terms of potential energy and polarization surfaces trained on density functional…

材料科学 · 物理学 2025-04-02 Pinchen Xie , Yixiao Chen , Weinan E , Roberto Car

In this paper we study the size effects of the ferroelectric nanotube phase diagrams and polar properties allowing for effective surface tension and depolarization field influence. The approximate analytical expression for the…

材料科学 · 物理学 2007-05-23 A. N. Morozovska , M. D. Glinchuk , E. A. Eliseev

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"…

计算物理 · 物理学 2019-06-12 Jinlian Lu , Gong Chen , Wei Luo , Jorge Íñiguez , Laurent Bellaiche , Hongjun Xiang

We present magnetic, thermodynamic, dielectric and structural investigations on the aluminoborate Ni${_2}$AlBO${_5}$, belonging to the ludwigite family. Room temperature structural refinement suggests that the system crystallizes in the…

强关联电子 · 物理学 2020-01-08 Jitender Kumar , Deepak John Mukkattukavil , Arpan Bhattacharyya , Sunil Nair

High-temperature electronic materials are in constant demand as the required operational range for various industries increases. Here we design $(A,A^\prime)B_2$O$_6$ perovskite oxides with [111] ``rock salt" $A$-site cation order and…

材料科学 · 物理学 2014-06-11 Joshua Young , James M. Rondinelli

For Sn$_2$P$_2$S$_6$ ferroelectrics the second order phase transitions line is observed until reaching the tricritical point at transition temperature lowering to 250 K by compression. Observed temperature-pressure phase diagram agrees with…

The electronic structure of Li-doped Ni$_{1-x}$Fe$_x$O has been investigated using photoemission spectroscopy (PES) and x-ray absorption spectroscopy (XAS). The Ni $2p$ core-level PES and XAS spectra were not changed by Li doping. In…

The domain structure of uniaxial ferroelectric lithium niobate single crystals is investigated using Raman spectroscopy mapping. The influence of doping with magnesium and poling at room temperature is studied by analysing frequency shifts…

材料科学 · 物理学 2018-02-09 Guillaume F. Nataf , Mael Guennou , Alexander Haußmann , Nick Barrett , Jens Kreisel