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Dielectric relaxation induced by oxygen vacancies in Na0.5Bi0.5TiO3 ceramics Na0.5Bi0.5TiO3陶瓷中氧空位引起的介电弛豫
IF 0.6 4区 物理与天体物理 Q4 PHYSICS, CONDENSED MATTER Pub Date : 2023-01-04 DOI: 10.5488/CMP.25.43705
V. Sidak, M. Trubitsyn, T. Panchenko
Dielectric permittivity was studied in ceramics of relaxor ferroelectric bismuth-sodium titanate Na0.5Bi0.5TiO3. The measurements were performed on as sintered and heat treated in vacuum samples. The diffuse dielectric anomalies associated with the structural phase transitions were observed in as sintered samples. The intense peak of permittivity (εmax ∼ 104) appeared after heat treating in vacuum. The anomaly of ε(T) was contributed by slow polarization processes (f < 10 kHz) and was non-stable, vanishing on heating in air up to ∼ 800 K. Temperature and frequency dependencies of ε were described by using Cole-Cole model with accounting thermally stimulated decay of the non-stable polarization. It is supposed that the dielectric anomaly is determined by space charge polarization mechanism. Oxygen vacancies VO•• and electrons localized on titanium ions Ti'Ti are assumed to be responsible for the phenomenon observed.
研究了弛豫铁电铋-钛酸钠(Na0.5Bi0.5TiO3)陶瓷的介电常数。对真空烧结和热处理样品进行了测量。在烧结样品中观察到与结构相变相关的扩散介电异常。真空热处理后出现了介电常数峰值(εmax ~ 104)。ε(T)的异常是由慢极化过程(f < 10 kHz)引起的,并且是不稳定的,在空气中加热到~ 800 K时消失。用Cole-Cole模型描述了ε的温度和频率依赖关系,并考虑了非稳定极化的热激衰减。假设介电异常是由空间电荷极化机制决定的。氧空位VO••和定位在钛离子Ti’Ti上的电子被认为是观察到的现象的原因。
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引用次数: 0
Electric field induced polarization rotation in squaric acid crystals revisited 电场诱导方酸晶体的极化旋转
IF 0.6 4区 物理与天体物理 Q4 PHYSICS, CONDENSED MATTER Pub Date : 2023-01-04 DOI: 10.5488/CMP.25.43710
A. Moina
Using the previously developed model we revisit the problem of the electric field induced polarization rotation in antiferroelectric crystals of squaric acid. We test an alternative set of the model parameters, according to which the dipole moments associated with the H2C4O4 groups are assumed to be parallel to the diagonals of the ac plane. The T-E phase diagrams and the polarization curves P(E) for the fields directed along the a axis and along one of the diagonals are considered. Comparison of the theoretical results with the newly published experimental data confirm the validity of the model. The calculations reveal no apparent advantage of the new set of the parameters over the previously used set.
利用先前建立的模型,我们重新讨论了方酸反铁电晶体中电场诱导的极化旋转问题。我们测试了另一组模型参数,根据该模型参数,假设与H2C4O4基团相关的偶极矩与ac平面的对角线平行。考虑了沿a轴方向场和沿其中一条对角线方向场的T-E相图和偏振曲线P(E)。将理论结果与新发表的实验数据进行了比较,验证了模型的有效性。计算表明,新的参数集与以前使用的参数集相比没有明显的优势。
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引用次数: 0
Electrocaloric and barocaloric effects in CsH2PO4 ferroelectric CsH2PO4铁电材料的电热和气压效应
IF 0.6 4区 物理与天体物理 Q4 PHYSICS, CONDENSED MATTER Pub Date : 2023-01-04 DOI: 10.5488/CMP.25.43711
A. Vdovych, R. Levitskii, I. R. Zachek
To investigate the caloric effects in the CsH2PO4 ferroelectric, a modified pseudospin model of this crystal is used, which takes into account the dependence of the parameters of interaction between pseudospins on lattice strains. The model also takes into account the dependence of the effective dipole moment of a pseudospin on the order parameter. In the two-particle cluster approximation, the influence of the longitudinal electric field and hydrostatic pressure on the molar entropy of the crystal was studied. The electrocaloric and barocaloric effects were studied. The calculated electrocaloric temperature change is about 1 K; it can change its sign under the influence of hydrostatic pressure. Barocaloric temperature change is about -0.5 K; lattice anharmonicities were not taken into account in its calculations.
为了研究CsH2PO4铁电晶体的热效应,采用了一种修正的赝自旋模型,该模型考虑了赝自旋相互作用参数对晶格应变的依赖性。该模型还考虑了伪自旋有效偶极矩对序参量的依赖性。在双粒子簇近似下,研究了纵向电场和静水压力对晶体摩尔熵的影响。研究了热效应和气压效应。计算出的电热温度变化约为1k;它可以在静水压力的作用下改变其符号。压热温度变化约为-0.5 K;在计算中没有考虑晶格的非调和性。
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引用次数: 0
Apparent molar volume anomaly in water-dimethyl sulfoxide liquid mixtures. Molecular dynamics computer simulations 水-二甲基亚砜液体混合物的表观摩尔体积异常。分子动力学计算机模拟
IF 0.6 4区 物理与天体物理 Q4 PHYSICS, CONDENSED MATTER Pub Date : 2023-01-04 DOI: 10.5488/CMP.25.44201
M. Aguilar, H. Domínguez, O. Pizio
We have studied the composition dependence of density of liquid water-DMSO mixtures at different temperatures by using the isobaric-isothermal (NPT) molecular dynamics computer simulations. The non-polarizable semi-flexible, P1 and P2 models for the DMSO molecule combined with the TIP4P-2005 water model are considered. The excess mixing volume and the apparent molar volumes of the species are reported. We have established that the P1-TIP4P-2005 model for the mixture provides a very good description of the location of the minimum of apparent molar volume for DMSO species indicating the anomaly. Most important is that the temperature interval where the hydrophobic effect exists, is correctly captured with this modelling, in contrast to the P2-TIP4P-2005 model.
采用等压等温(NPT)分子动力学方法,研究了不同温度下液态水-二甲苯混合物的密度与组分的关系。结合TIP4P-2005水模型,考虑了DMSO分子的非极化半柔性、P1和P2模型。报道了该物质的过量混合体积和表观摩尔体积。我们已经建立了混合物的P1-TIP4P-2005模型,可以很好地描述DMSO物种最小表观摩尔体积的位置,表明异常。最重要的是,与P2-TIP4P-2005模型相比,该模型正确地捕获了疏水效应存在的温度区间。
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引用次数: 0
New trends in the nanophysics of ferroics, relaxors and multiferroics 铁、弛豫和多铁纳米物理的新趋势
IF 0.6 4区 物理与天体物理 Q4 PHYSICS, CONDENSED MATTER Pub Date : 2023-01-03 DOI: 10.5488/CMP.25.42201
M. Glinchuk, L. Yurchenko, E. Eliseev
The review covers the theoretical and experimental results obtained in the recent years by the scientists with the help of comprehensive investigation of nanoferroics and multiferroics. The main attention will be paid to spontaneous flexoeffects and reentrant phase in nanoferroics as well as to a recently discovered giant magnetoelectric effect in multiferroics.
本文综述了近年来科学家们在纳米铁性和多铁性的综合研究下所取得的理论和实验结果。主要的注意力将放在纳米铁氧体的自发挠曲效应和重入相,以及最近发现的多铁氧体的巨磁电效应。
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引用次数: 0
The antiferromagnetic phase transition in the layered Cu0.15Fe0.85PS3 semiconductor: experiment and DFT modelling 层状Cu0.15Fe0.85PS3半导体的反铁磁相变:实验与DFT模型
IF 0.6 4区 物理与天体物理 Q4 PHYSICS, CONDENSED MATTER Pub Date : 2023-01-03 DOI: 10.5488/CMP.25.43701
V. Pashchenko, O. Bludov, D. Baltrunas, K. Mažeika, S. Motria, K. Glukhov, Y. Vysochanskii
The experimental studies of the paramagnetic-antiferromagnetic phase transition through Mössbauer spectroscopy and measurements of temperature and field dependencies of magnetic susceptibility in the layered Cu0.15Fe0.85PS3 crystal are presented. The peculiar behavior of the magnetization - field dependence at low-temperature region gives evidence of a weak ferromagnetism in the studied alloy. By the ab initio simulation of electronic and spin subsystems, in the framework of electron density functional theory, the peculiarities of spin ordering at low temperature as well as changes in interatomic interactions in the vicinity of the Cu substitutional atoms are analyzed. The calculated components of the electric field gradient tensor and asymmetry parameter for Fe ions are close to the ones found from Mössbauer spectra values. The Mulliken populations show that the main contribution to the ferromagnetic spin density is originated from 3d-copper and 3p-sulfur orbitals. The estimated total magnetic moment of the unit cell (8.543 emu/mol) is in reasonable agreement with the measured experimental value of ∼9 emu/mol.
本文利用Mössbauer光谱技术对层状Cu0.15Fe0.85PS3晶体的顺磁-反铁磁相变进行了实验研究,并测量了磁化率的温度和场依赖关系。在低温区磁化场依赖的特殊行为证明了所研究的合金具有弱铁磁性。通过从头算模拟电子和自旋子系统,在电子密度泛函理论的框架下,分析了低温下自旋有序的特性以及Cu取代原子附近原子间相互作用的变化。计算得到的Fe离子的电场梯度张量分量和不对称参数与Mössbauer谱值接近。Mulliken种群表明,对铁磁自旋密度的主要贡献来自于3d-铜和3p-硫轨道。估计的单位电池总磁矩(8.543 emu/mol)与测量的实验值(~ 9 emu/mol)相当吻合。
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引用次数: 0
Critical exponents of the order parameter of diffuse ferroelectric phase transitions in the solid solutions based on lead germanate: studies of optical rotation 基于锗酸铅的固溶体中弥漫性铁电相变序参量的临界指数:旋光性研究
IF 0.6 4区 物理与天体物理 Q4 PHYSICS, CONDENSED MATTER Pub Date : 2023-01-03 DOI: 10.5488/CMP.25.43703
D. Adamenko, R. Vlokh
In this work we show that the critical exponents of the order parameter (CEOPs) of diffuse ferroelectric phase transitions (DFEPTs) occurring in lead germanate-based crystals can be determined using experimental temperature dependences of their optical rotation. We also describe the approach that suggests dividing a crystal sample into many homogeneous unit cells, each of which is characterized by a non-diffuse phase transition with a specific local Curie temperature. Using this approach, the CEOPs have been determined for the pure Pb5Ge3O11 crystals, the solid solutions Pb5(Ge1-xSix)3O11 (x = 0.03, 0.05, 0.10, 0.20, 0.40) and (Pb1-xBax)5Ge3O11 (x = 0.02, 0.05), and the doped crystals Pb5Ge3O11:Li3+ (0.005 wt.), Pb5Ge3O11:La3+ (0.02 wt.), Pb5Ge3O11:Eu3+ (0.021 wt.), Pb5Ge3O11:Li3+, Bi3+ (0.152 wt.) and Pb5Ge3O11:Cu2+ (0.14 wt.). Comparison of our approach with the other techniques used for determining the Curie temperatures and the CEOPs of DFEPTs testifies to its essential advantages.
在这项工作中,我们证明了在锗酸铅基晶体中发生的弥漫性铁电相变(DFEPTs)的序参量(CEOPs)的临界指数可以用它们的旋光度的实验温度依赖性来确定。我们还描述了将晶体样品分成许多均匀的晶胞的方法,每个晶胞的特征是具有特定局部居里温度的非扩散相变。利用该方法,测定了纯Pb5Ge3O11晶体、固溶体Pb5(Ge1-xSix)3O11 (x = 0.03, 0.05, 0.10, 0.20, 0.40)和(Pb1-xBax)5Ge3O11 (x = 0.02, 0.05)以及掺杂晶体Pb5Ge3O11:Li3+ (0.005 wt.)、Pb5Ge3O11:La3+ (0.02 wt.)、Pb5Ge3O11:Eu3+ (0.021 wt.)、Pb5Ge3O11:Li3+、Bi3+ (0.152 wt.)和Pb5Ge3O11:Cu2+ (0.14 wt.)的CEOPs。将我们的方法与其他用于测定居里温度和DFEPTs的ceop的技术进行比较,证明了它的本质优势。
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引用次数: 2
Broadband Brillouin scattering study of ferroelectric instability of barium sodium niobate 铌酸钡钠铁电不稳定性的宽带布里渊散射研究
IF 0.6 4区 物理与天体物理 Q4 PHYSICS, CONDENSED MATTER Pub Date : 2023-01-03 DOI: 10.5488/CMP.25.43702
S. Kojima
The barium sodium niobate (BNN) with tungsten-bronze structure is one of well-known optical crystals for electro-optic and nonlinear optic applications. This paper reviews the ferroelectric instability of BNN crystals. BNN is a uniaxial ferroelectric with a spontaneous polarization along the tetragonal c-axis. There is no report on the observation of an optical soft mode responsible for a ferroelectric phase transition. In the vicinity of the Curie temperature, TC = 560°C, an intense central peak (CP) related to the polarization fluctuations along the c-axis was observed by the broadband Brillouin scattering experiment. The relaxation time determined by the CP width shows the critical slowing down towards TC. This fact indicates that the ferroelectric instability of BNN is an order-disorder type.
铌酸钡钠(BNN)是一种钨青铜结构的光学晶体,在电光和非线性光学领域有着广泛的应用。本文综述了BNN晶体的铁电不稳定性。BNN是沿四方c轴自发极化的单轴铁电体。目前还没有观测到引起铁电相变的光学软模的报道。在居里温度TC = 560℃附近,宽带布里渊散射实验观测到一个与C轴极化波动有关的中心峰(CP)。由CP宽度决定的弛豫时间显示了向TC的临界减速。这表明BNN的铁电不稳定性为有序-无序型。
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引用次数: 1
Complexity and Collective Behaviour: Solids, Fields, and Data (dedicated to Bertrand Berche on his 60th birthday) 复杂性和集体行为:实体、场和数据(献给Bertrand Berche 60岁生日)
IF 0.6 4区 物理与天体物理 Q4 PHYSICS, CONDENSED MATTER Pub Date : 2023-01-01 DOI: 10.5488/cmp.26.10101
R. Folk, Y. Holovatch, R. Kenna, M. Krasnytska
It is our pleasure and honour to dedicate this Festschrift to Bertrand Berche on the occasion of his 60th birthday. Here, colleagues and friends pay tribute to Betrand's long lasting and highly valued work in the fields of statistical and condensed matter physics, complex systems, history of science, philosophy of science as well as interdisciplinary applications.
在Bertrand Berche 60岁生日之际,我们很高兴也很荣幸地将这个节日献给他。在这里,同事们和朋友们向贝特兰在统计和凝聚态物理、复杂系统、科学史、科学哲学以及跨学科应用等领域的长期和高度重视的工作致敬。
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引用次数: 0
Erratum: ``Electric field induced polarization rotation in squaric acid crystals revisited'' [Condens. Matter Phys., 2022, 25, No 4, 43710: 1-10, DOI:10.5488/CMP.24.43703] 勘误:“电场诱导的方形酸晶体的极化旋转”[参考文献]。物理问题。[j] .地球物理学报,2022,25,No .4, 43710: 1-10, DOI:10.5488/CMP.24.43703]
IF 0.6 4区 物理与天体物理 Q4 PHYSICS, CONDENSED MATTER Pub Date : 2023-01-01 DOI: 10.5488/cmp.26.16701
A. Moina
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引用次数: 0
期刊
Condensed Matter Physics
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