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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…

First-principles calculations were performed to investigate the ferroelectric properties of barium titanate and bismuth ferrite, as well as phonon dispersion of BaTiO3, using density functional theory and density functional perturbation…

材料科学 · 物理学 2014-12-08 Hong-Jian Feng

We report neutron scattering measurements of the structural correlations associated with the apparent relaxor transition in K$_{1-x}$Li$_x$TaO$_3$ for $x=0.02$ (KLT(0.02)). This compound displays a broad and frequency-dependent peak in the…

材料科学 · 物理学 2015-05-27 C. Stock , P. M. Gehring , G. Xu , D. Lamago , D. Reznik , M. Russina , J. Wen , L. A. Boatner

Broadband dielectric spectroscopy from Hz up to the infrared (IR) range and temperature interval 10-300 K was carried out for xBaZrO3-(1-x)BaTiO3 (BZT-x, x = 0.6, 0.7, 0.8) solid solution ceramics and compared with similar studies for x =…

材料科学 · 物理学 2013-12-12 J. Petzelt , D. Nuzhnyy , M. Savinov , V. Bovtun , M. Kempa , T. Ostapchuk , J. Hlinka , G. Canu , V. Buscaglia

We investigate the relaxation and conduction mechanism of Ba0.90Sr0.10TiO3 (BST) ceramic, synthesized by the solid state reaction method. The dielectric and relaxation properties are analyzed in the temperature range of 380-450{\deg}C with…

Relaxor ferroelectric PbMg_1/3Ta_2/3O_3 ceramics and thin films were investigated by means of broad-band dielectric, time-domain terahertz (THz) and Fourier-transform infrared (IR) spectroscopy in the frequency range 100 Hz - 90 THz at…

Ba(Zr,Ti)O$_3$ is a lead-free relaxor ferroelectric. Using the first-principles method, the ferroelectric dipole moments for pure BaTiO$_3$ and Ba(Zr,Ti)O$_3$ supercells have been studied. All possible ion configurations of…

材料科学 · 物理学 2015-11-11 Li-Juan Yang , Lingzhi Wu , Shuai Dong

Combining our comprehensive investigations of polarization evolution, soft-mode by Raman scattering and microstructure by TEM, and the results reported in the literatures, we show that prototypical relaxor Pb(Mg1/3Nb2/3)O3 (PMN) is…

材料科学 · 物理学 2013-01-17 Desheng Fu , Hiroki Taniguchi , Mitsuru Itoh , Shigeo Mori

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

Proximity to phase transitions (PTs) is frequently responsible for the largest dielectric susceptibilities in ferroelectrics. The impracticality of using temperature as a control parameter to reach those large responses has motivated the…

The local dynamics of the lead-free relaxor $0.964\mathrm{Na}_{1/2}\mathrm{Bi}_{1/2}\mathrm{TiO}_3-0.036\mathrm{BaTiO}_3$ (NBT-3.6BT) have been investigated by a combination of quasielastic neutron scattering (QENS) and ab initio molecular…

The structure and the dielectric properties of Pb(Zn1/3Nb2/3)O3 (PZN) crystal have been investigated by means of high-resolution synchrotron x-ray diffraction (with an x-ray energy of 32 keV) and dielectric spectroscopy (in the frequency…

材料科学 · 物理学 2009-11-10 Y. -H. Bing , A. A. Bokov , Z. -G. Ye , B. Noheda , G. Shirane

We study the temperature-dependent evolution of the octahedral tilt order in a lead-free relaxor ferroelectric and its impact on the ferroelectric properties. Using diffuse neutron scattering on a…

材料科学 · 物理学 2016-07-13 Florian Pforr , Márton Major , Wolfgang Donner , Uwe Stuhr , Bertrand Roessli

Dielectric, anelastic and ^139La NMR relaxation measurements have been made on the relaxor ferroelectric Pb(1-3x/2)La(x)Zr(0.2)Ti(0.8)O(3) (PLZT) with x = 0.22. The dielectric susceptibility exihibits the frequency dispersive maximum due to…

材料科学 · 物理学 2010-07-23 F. Cordero , M. Corti , F. Craciun , C. Galassi , D. Piazza , F. Tabak

The growing demand for high energy storage materials has garnered substantial attention towards lead-free ferroelectric nanocrystals (NCs), such as BaTiO3 (BTO), for next-generation multilayer ceramic capacitors. Notably, it remains…

材料科学 · 物理学 2025-07-08 Qiong Li , Elshad Allahyarov , Tianxiong Ju , Zhiqun Lin , Lei Zhu

The solid solution 0.5Ba(Ti0.8Zr0.2)O3-0.5(Ba0.7Ca0.3)TiO3 (BCZT) is a promising lead-free piezoelectric material with exceptionally high piezoelectric coefficients. The strong response is related to structural instabilities close to…

We present a first-principles investigation of ferroelectricity in layered perovskite oxide La2Ti2O7 (LTO), one of the compounds with highest Curie temperature known (1770 K). Our calculations reveal that LTO's ferroelectric transition…

材料科学 · 物理学 2015-05-27 Jorge Lopez-Perez , Jorge Iniguez

By using the semi-wet synthesis method, lead-free ferroelectric materials Ba0.9Sr0.1Ti1-xSnxO3 with x = 0, 0.02, 0.05, and 0.10 (abbreviated as BSTS) were prepared and their structural, electric and electrocaloric properties were…

Frequency dependence of the dielectric constant of complex perovskite oxide Ba(1-x)La(x)Ti(1-x)Cr(x)O3 (BLTC) ceramics with the composition ratio 0.4<= x <= 0.7 is precisely measured in the temperature range from 20 K to 300 K, and the…

材料科学 · 物理学 2007-05-23 Mamoru Fukunaga , Yoshiaki Uesu

The structural, dielectric and ferroelectric properties of lead-free (Na0.5-xKxBi0.5-xLax)TiO3 powders synthesized by sol-gel self-combustion method were investigated. Rietveld refinement of Synchrotron x-ray diffraction data confirms pure…

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