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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

We present a broad band (THz to UV) ellipsometry study of the anisotropic dielectric response of the orthorhombic perovskite YAlO3. The ellipsometric measurements have been performed on YAlO3 crystals with three different surface cuts and…

材料科学 · 物理学 2025-11-18 Laurent Bugnon , Christian Bernhard , Premysl Marsik

We present the detailed study of the temperature dependent dielectric properties, impedance spectroscopy and electrical conductivity of LaV$_{1-x}$Nb$_x$O$_4$ ($x=$ 0-1) samples prepared by the solid-state reaction method. The dielectric…

材料科学 · 物理学 2023-11-07 Ashok Kumar , Vikas N. Thakur , Ajay Kumar , Vinod Singh , Anita Dhaka , Rajendra S. Dhaka

The dielectric behavior of the single crystals of the spin-chain system Ca3Co2O6, undergoing geometrically frustrated antiferromagnetic ordering below 25 K, has been investigated as a function of temperature and magnetic field (H) and…

材料科学 · 物理学 2016-03-17 Tathamay Basu , Kartik K. Iyer , P. L. Paulose , E. V. Sampathkumaran

In this work we present the dielectric behavior of water with a novel flexible model that improved all three sites water models Different concentrations of the ionic liquid 1- butyl-3-methylimidazolium [bmim]…

Published dielectric and shear data of six molecular glass formers and one polymer are evaluated in terms of a spectrum of thermally activated processes, with the same barrier density for the retardation spectrum of shear and dielectrics.…

无序系统与神经网络 · 物理学 2009-09-24 U. Buchenau

The temperature behaviour in the range 22\degree C to 500\degree C of the dielectric permittivity in the infrared range is investigated for CaF2, BaF2 and Al2O3 through reflectivity measurements. The dielectric permittivity is retrieved by…

Magnetization measurements and time-of-flight neutron powder-diffraction studies on the high-temperature (300--980 K) magnetism and crystal structure (321--1200 K) of a pulverized YCrO$_3$ single crystal have been performed.…

Dielectric beta-relaxation in a pyridine-toluene solution is studied close to the glass transition. In the equilibrium liquid state the beta loss peak frequency is not Arrhenius (as in the glass) but virtually temperature-independent, while…

软凝聚态物质 · 物理学 2009-10-31 Niels Boye Olsen , Tage Christensen , Jeppe C. Dyre

First-principles calculations have been conducted to study the structural, vibrational and dielectric properties of {\beta}-Si3N4. Calculations of the zone-center optical-mode frequencies (including LO-TO splittings), Born effective charge…

材料科学 · 物理学 2015-05-28 Yongqing Cai , Qingfeng Zeng , Litong Zhang , Laifei Cheng , Yongdong Xu

Measurements on 'free-standing' single crystal barium titanate capacitors with thicknesses down to 75nm show a dielectric response typical of large single crystals rather than conventional thin films. There is a notable absence of any…

材料科学 · 物理学 2007-05-23 M. M. Saad , P. Baxter , R. M. Bowman , J. M. Gregg , F. Morrison , J. F. Scott

Polycrystalline lead-free Ba$_{0.85}$Ca$_{0.15}$Zr$_{0.10}$Ti$_{0.90}$O$_3$ (BCZT), BaTi$_{0.89}$Sn$_{0.11}$O$_3$ (BTSn) and 0.4Ba$_{0.85}$Ca$_{0.15}$Zr$_{0.10}$Ti$_{0.90}$O$_3$-0.6BaTi$_{0.89}$Sn$_{0.11}$O$_3$ (0.4BCZT-0.6BTSn)…

材料科学 · 物理学 2023-06-13 S. Khardazi , H. Zaitouni , A. Neqali , S. Lyubchyk , D. Mezzane , M. Amjoud , E. Choukri , S. Lyubchyk , Z. Kutnjak

The monoclinic crystal structure of $\beta$-$\mathrm{Ga_2O_3}$ leads to significant anisotropy of the thermal properties. The 2$\omega$-method is used to measure the thermal diffusivity $D$ in [010] and [001] direction respectively and to…

材料科学 · 物理学 2016-11-23 Martin Handwerg , Rüdiger Mitdank , Zbigniew Galazka , Saskia F. Fischer

Dielectric spectroscopy of CaCu3Ti4O12 was performed spanning broad ranges of temperature (10-300K) and frequency (0.5Hz-2MHz). We attribute the permittivity step-fall to the evolution of Kirkwood-Fr\"oehlich dipole-correlations; reducing…

材料科学 · 物理学 2014-09-23 A. M. Awasthi , Jitender Kumar

The dynamic structure factor of glassy and liquid glycerol has been measured by inelastic X-ray scattering in the exchanged momentum ($Q$) region $Q$=2$\div$23 nm$^{-1}$ and in the temperature range 80$\div$570 K. Beside the propagating…

无序系统与神经网络 · 物理学 2007-05-23 T. Scopigno , E. Pontecorvo , R. Di Leonardo , M. Krisch , G. Monaco , G. Ruocco , B. Ruzicka , F. Sette

Barium sodium niobate Ba$_2$NaNb$_5$O$_{15}$ (BNN) ceramics with different amounts of BaO-Na$_2$O-Nb$_2$O$_5$-P$_2$O$_5$ (BNNP) glass were prepared via the conventional solid-state method. The effect of glass content on the structural,…

A new relaxation mechanism is shown to arise from overdamped two-level systems above a critical temperature $T^*\approx 5$ K, thus yielding an explanation for experimental observations in dielectric glasses in the temperature range between…

凝聚态物理 · 物理学 2009-10-22 Peter Neu , Alois Würger

We discuss a non-perturbative, technically straightforward, easy-to-use, and computationally affordable method, based on polarization theory, for the calculation of the electronic dielectric constant of insulating solids at the first…

材料科学 · 物理学 2009-10-31 Fabio Bernardini , Vincenzo Fiorentini

Lead-free ba0.85ca0.15zr0.1ti0.9o3 (bczt) ceramic powders were synthesized using the sol-gel method. to achieve high-energy storage and large electrocaloric effect in bulk ceramics the ceramics thickness was reduced. dielectric,…

We report both experimental and theoretical investigations of the physical properties of Ba$_\mathrm{2}$Mn$_\mathrm{2}$Sb$_\mathrm{2}$O single crystals. This material exhibits a hexagonal structure with lattice constants: a = 4.7029(15)…

强关联电子 · 物理学 2012-12-05 J. Li , C. E. Ekuma , I. Vekhter , M. Jarrell , J. Moreno , S. Stadler , A. B. Karki , R. Jin
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