位置：成果数据库 > 期刊 > 期刊详情页
Ferroelectricity of nanocrystalline BaTiO3 ceramics by first principle calculation
  • 时间：0
  • 分类：TQ174.756[化学工程—陶瓷工业;化学工程—硅酸盐工业] TQ132.35[化学工程—无机化工]
  • 作者机构：[1]Key Laboratory of Ministry of Education for Application Technology of Chemical Materials in Hainan Superior Resources, Hainan Provincial Key Laboratory of Research on Utilization of Si-Zr-Ti Resources, Materials and Chemical Engineering Institute, Hainan University, Haikou 570228, China, [2]College of Physics and Electronic Information, Tianjin Normal University, Tianjin 300387, China, [3]Department of Materials Science and Engineering, Tsinghua University, Beijing 100084, China
  • 相关基金：This work was supported by the National Basic Research Program of China （2002CB613301）, the National Natural Science Foundation of China （50872094） and Hainan University Research Fund.
  • 相关项目：功能陶瓷
关键词： 钛酸钡陶瓷, 纳米钛酸钡, 第一性原理计算, 铁电性, 密度泛函理论, 振动模式, 赝势法, 相转变, nanocrystalline BaTiO3 ceramics, microstructure, size effect, ferroelectricity
中文摘要：

在不同水晶的阶段的 BaTiO3 的震动的模式借助于密度被调查了功能的理论假潜在的方法。证据对四角形对为陶艺进一步表明的 8 nm BaTiO3 在场的菱形的阶段转变斜方晶、斜方晶在 8 nm BaTiO3 陶艺从的类似的连续转变对斜方晶、四角形、立方的转变菱形作为在粗糙的 BaTiO3 陶艺的那些。

英文摘要：

The vibrational modes of BaTiO3 in different crystalline phases have been investigated by means of density functional theory pseudo potential method. The evidence of tetragonal to orthorhombic and orthorhombic to rhombohedral phase transitions present for 8 nm BaTiO3 ceramics further demonstrates that the similar successive transitions in 8 nm BaTiO3 ceramics from rhombohedral to orthorhombic, tetragonal and cubic transitions are as those in coarse BaTiO3 ceramics.

同期刊论文项目
纳米多层膜的界面结构和超晶格调制对其高温稳定性和超硬效应的影响
期刊论文 47 会议论文 38 专利 4
功能陶瓷
期刊论文 66 会议论文 28
同项目期刊论文
Preparation of nanocrystalline BaTiO3 ceramics.
Polymorphic phase transition and enhanced piezoelectric properties of LiTaO3-modified (Na0.52K0.48)
Phase transition characteristics and piezoelectric properties of compositionally optimized alkaline
Pressure-induced phase transition in Ho0.8Dy0.2MnO3 multiferroic compound.
Structural investigations of the co-fired interface of Pb-based relaxor ferroelectrics and Ag-Pd ele
Stoichiometry control and structure evolution in hydrothermally derived (Ba,Sr)TiO3 films
The phase transitions and ferroelectric behavior of dense nanocrystalline BaTiO3 ceramics fabricated
Thermal stability of the nanostructured BaTiO3 determined by long and short range interactions: A du
Ferroelectric BaTiO3 nanoceramics prepared by a three-step high-pressure sintering method.
Nanostructural and physical features of BaTiO3 ceramics prepared by two-step sintering
Sintering, microstructure and piezoelectric properties of CuO and SnO2 co-modified sodium potassium
Processing,Microstructure and Properties of Nanograin Barium Titanate Cearamics by Spark Plasma Sint
Core–Shell Structure in Nanocrystalline Modified BaTiO3 Dielectric Ceramics Prepared by Different Si
Effect of Anneal Conditions on Electrical Properties of Mn-Doped (Na0.85K0.15)0.5Bi0.5TiO3 Thin Film
Bulk dense fine-grain (1-x)BiScO3-xPbTiO3 ceramics with high piezoelectric coefficient
Preparation and properties of fine-grain (1-x)BiScO3-xPbTiO3 ceramics by two-step sintering
Crystallization and phase transition of titanium oxide nanotube arrays
Microstructures and dielectric characteristics of ultrafine-grained barium titanate-based ceramics f
Phase transition and domain variation contributions to piezoelectric properties of alkaline niobate
Synthesis and growth mechanism of graded TiO2 nanotube arrays by two-step anodization
Epitaxial growth of sol-gel derived BiScO3-PbTiO3 thin film on Nb-doped SrTiO3 single crystal substr
Orientation control in sol-gel-derived BiScO3-PbTiO3 thin films.
Effect of crystallization process on the ferroelectric properties of sol-gel derived BiScO3-PbTiO3 t
Dispersion of barium titanate in aqueous media.
Size Effect of Nanocrystalline BaTiO3 Ceramics.
Extrinsic effects on dielectric response of ultrafine grain BaTiO3 ceramics.
Bandgap Modulation in ZnO by Size, Pressure, and Temperature.
Size Effect of Uniaxial Stress Affecting Dielectric Response in Barium Titanate
Properties of compositionally graded BiScO3-PbTiO3 thin films fabricated by a sol-gel process
Investigation of interdiffusion in Ba(Ti,Zr)O-3-based Y5V multilayer ceramic capacitors with Ni elec
Effect of annealing on ferroelectric properties of nanometre BaTiO3 ceramics prepared by high pressu
Ferroelectric behaviour of 30 nm BaTiO3 ceramics prepared by high pressure assisted sintering
Microstructure Evolution and Dielectric Properties of Ultrafine Grained BaTiO3-Based Ceramics by Two
Narrow sintering temperature window for (K,Na)NbO3-based lead –free piezoceramics caused by composit
Investigation of Thickness Dependence of Structure and Electric Properties of Sol-Gel-Derived BiScO3
纳米晶钛酸钡粉体的相结构
Effect of milling process on the core-shell structures and dielectric properties of fine-grained BaTiO3-based X7R ceramic materials
Li-,Sb-和Ta-共掺杂（K,Na）NbO3陶瓷的低温烧结
ErFe11Ti化合物在流动氮气氛中的差热-热重分析
ErFe10.5-xCrxMo1.5化合物的结构与居里温度
Visible light active TiO2 films prepared by electron beam deposition of noble metals
TiB2/Si3N4纳米多层膜的制备及其结构和性能分析
调制周期对ZrB2/WNx纳米多层膜的机械性能和结构的影响
Ar/N2气体比例对ZrN/WTiN纳米多层膜的影响
Structures and Mechanical Properties of Modulated ZrB2/W and ZrB2/WNx Nanomultilayers
Effect of Deposition Parameters on Structure and Mechanical Properties of TiB2/Si3N4 Nano Multilayer
Optimal deposition and layer modulation parameters for mechanical property enhancement of TiB(2)/Si(
Influence of modulation ratio on structure and properties of nanoscale ZrB2/ZrAlN multilayered coati
纳米钛酸钡陶瓷铁电性的第一性原理研究
Influence of modulation periods and modulation ratios on the structure and mechanical properties of
First-Principles Calculation of Elastic Properties of TiB2 and ZrB2
First-principles Calculations of Transition metal nitrides TiN and NbN
调制周期对ReB2/TaN纳米多层膜的结构和力学性能影响
Effect of Modulation Period and N+ Beam Bombarding Energy on the growth of Nanoscale ZrB2/AlN Multil
离子束辅助沉积法制备TiAlN/TiB_2纳米多层膜的研究
Effect of Modulation Period on the Structure and Mechanical Properties of Nanoscale W/ZrB2 Multilaye
Preparation and characterization of ZrB2/AlN multilayers by N+ beam assisted deposition
Growth, microstructure, and mechanical properties related to modulation period for ZrAlN/ZrB2 superl
海南火山岩结构及性能的研究
工作气压对ZrB2/W纳米多层薄膜结构和机械性能的影响
调制周期对ZrB2/BN纳米多层膜结构和性能的影响
调制周期对ZrB2/AlN纳米多层膜结构和机械性能的影响
用磁控溅射合成的AlN/ZrB2纳米多层膜的微结构与机械性能
WTiN薄膜的的合成及其结构和性能的研究
Influence of modulation ratio on the structure and mechanical properties of TiB2/TiAlN multilayered
Synthesis of nanoscale CNx/TiAlN multilayered coatings by ion-beam-assisted deposition
Preparation of nanocrystalline BaTiO3 ceramics
纳米晶钛酸钡陶瓷的制备
Synthesis of nanometer multi-layered ZrN/(Ti,Al)N coatings by ion-beam-assisted deposition
Modulation periods and ratios induced changes of microstructure and mechanical properties of AlN/ZrB
调制周期、调制比、沉积温度对ZrB_2/W纳米多层膜微结构和机械性能的影响
工作气压和基底偏压对ZrB_2/AlN纳米多层膜结构和机械性能的影响
电场对（Ba_（0.97）Ca_（0.03））（Ti_（0.82）Zr_（0.18））O_3无铅压电陶瓷铁电性的影响
高介电常数BaTiO3陶瓷畴反转电流影响因素的研究
ErFe（11）Ti化合物在流动氮气氛中的差热-热重分析
工作气压和基底偏压对ZrB2/AlN纳米多层膜结构和机械性能的影响
调制周期对ZrB_2/WNx纳米多层膜的机械性能和结构的影响
调制周期对ReB_2/TaN纳米多层膜的结构和力学性能影响