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When calcium titanate crystals are grown from stoichiometric melts, they crystallize in the cubic perovskite structure. Upon cooling to room temperature they undergo subsequent phase transitions to tetragonal and orthorhombic modifications.…

材料科学 · 物理学 2018-02-02 Detlef Klimm , Max Schmidt , Nora Wolff , Christo Guguschev , Steffen Ganschow

The design of next generation \beta-type titanium implants requires detailed knowledge of the relevant stable and metastable phases at temperatures where metallurgical heat treatments can be performed. Recently, a standard specification for…

材料科学 · 物理学 2017-07-26 S. Barzilai , C. Toher , S. Curtarolo , O. Levy

We present a kinetic model for solid state phase transformation (alpha<-->beta) of common zirconium alloys used as fuel cladding material in light water reactors. The model computes the relative amounts of beta or alpha phase fraction as a…

材料科学 · 物理学 2021-04-01 A. R. Massih , L. O. Jernkvist

Series of metastable Me1-xZnxO solid solutions (Me = Ni2+, Co2+, Fe2+, Mn2+) with the rocksalt (rs) crystal structure have been synthesized from the binary oxides by quenching from 7.7 GPa and 1450-1650 K. Phase composition of the samples,…

材料科学 · 物理学 2011-02-04 A. N. Baranov , P. S. Sokolov , O. O. Kurakevych , V. A. Tafeenko , D. Trots , V. L. Solozhenko

We present a simple, scalable synthesis route for producing exchange coupled soft/hard magnetic composite powder that outperforms pure soft and hard phase constituents. Importantly, the composites is iron oxide based (SrFe12O19 and Fe3O4)…

材料科学 · 物理学 2016-07-20 A. D. Volodchenkov , Y. Kodera , J. E. Garay

TiO$_2$ and WO$_3$ are two of the most important earth-abundant electronic materials with applications in countless industries. Recently alloys of WO$_3$ and TiO$_2$ have been investigated leading to improvements of key performance…

A recent proposal that the metamaterial approach to dielectric response engineering may increase the critical temperature of a composite superconductor-dielectric metamaterial has been tested in experiments with compressed mixtures of tin…

Thermal excitations typically reduce the electric polarization in ferroelectric materials. Here, we show by means of first-principles calculations that multiferroic BiFe$_{1-x}$Co$_{x}$O$_{3}$ solid solutions with $0.25 \le x \le 0.50$…

材料科学 · 物理学 2020-09-16 Cesar Menendez , Claudio Cazorla

Barium titanate (BaTiO$_3$) is a prototypical ferroelectric perovskite that undergoes the rhombohedral-orthorhombic-tetragonal-cubic phase transitions as the temperature increases. In this work, we develop a classical interatomic potential…

材料科学 · 物理学 2016-11-23 Yubo Qi , Shi Liu , Ilya Grinberg , Andrew M. Rappe

The effect of sintering temperatures (Ts) on the structural and magnetic properties of Ni0.6Zn0.4Fe2O4 (NZFO) ferrites synthesized by conventional double sintering method has been reported. The samples are sintered at 1200, 1250 and 1300…

We have carried out systematic temperature-dependent neutron diffraction measurements in conjunction with dielectric spectroscopy from 6 to 300 K for sodium niobate based compounds (1-x) NaNbO3 -xBaTiO3 (NNBTx). The dielectric constant is…

材料科学 · 物理学 2018-05-23 S. K. Mishra , Mrinal Jauhari , R. Mittal , P. S. R. Krishna , V. R. Reddy , S. L. Chaplot

The In-Sn binary alloy system exhibits several unusual features that challenge crystallographic and thermodynamic expectations. We combine first principles total energy calculation with simple thermodynamic modeling to address two key…

材料科学 · 物理学 2024-02-07 Michael Widom

Microwave synthesis was optimized for preparing novel monoclinic Tin-doped Barium Niobate ceramics (Ba1-xSnxNb2O6; x= 0.0, 0.01, 0.05, 0.1, 0.2, 0.3) BSN. The intensity of monoclinic phase formation was observed to decrease on increasing…

材料科学 · 物理学 2019-07-30 Ashish Joshi , Vaibhav Shrivastava , Anurag Pritam

Phase diagrams of [001] and [110] field-cooled (FC) (1-x)Pb(Mg1/3Nb2/3O3)-xPbTiO3 or PMN-xPT crystals have been constructed, based on high-resolution x-ray diffraction data. Comparisons reveal several interesting findings. First, a region…

材料科学 · 物理学 2009-11-11 Hu Cao , Jiefang Li

Polycrystalline Nd$_{1-x}$Eu$_{x}$NiO$_3$ ($0 \leq x \leq 0.5$) compounds were synthesized in order to investigate the character of the metal-insulator (MI) phase transition in this series. Samples were prepared through the sol-gel route…

强关联电子 · 物理学 2007-05-23 M. T. Escote , V. B. Barbeta , R. F. Jardim , J. Campo

We apply a first-principles-based atomistic model to investigate the BaTi(1-x)Zr(x)O3 phase diagram, focusing on both macroscopic and local structural changes. Our approach, which combines molecular dynamics with machine learning…

材料科学 · 物理学 2025-11-20 M. Sepliarsky , F. Aquistapace , F. Di Rino , R. Machado , M. G. Stachiotti

Phase evolution in (Ag1-xLix)NbO3 (ALN) solid solution was investigated by X-ray diffraction technique, dielectric and polarization measurements. It is shown that small substitution of Ag with Li gives rise to an orthorhombic-rhombohedral…

Free standing, low strain, single crystals of pure and titanium doped VO$_{2}$ were grown out of an excess of V$_{2}$O$_{5}$ using high temperature solution growth techniques. At $T_{MI} \sim$ 340 K, pure VO$_{2}$ exhibits a clear…

材料科学 · 物理学 2015-02-23 Tai Kong , Morgan W. Masters , Sergey L. Bud'ko , Paul C. Canfield

A series of Pb-free ferroelectric materials Ba0.9Sr0.1Ti1-xSnxO3 (BSTS-x) with 0 < x < 0.15 was successfully prepared via solid-state reaction method. The effect of Sn substitution on the crystal structure, microstructure, dielectric…

The NaNO$_{2}$ nanocomposite ferroelectric material in porous glass was studied by neutron diffraction. For the first time the details of the crystal structure including positions and anisotropic thermal parameters were determined for the…