Nb掺杂对还原性烧结的TiO2-δ陶瓷的晶体结构及热电性能的影响

利用传统的固相反应法在还原性气氛1200 ℃下分别制备出不同Nb掺杂量的Ti_1-xNb_xO_2-δ陶瓷样品.样品的粉末X射线衍射(XRD)结果显示:Nb掺杂量x较低时样品为多相混合,当Nb掺杂量x>0.02时样品为单一的四方相金红石型结构.在室温到900 K的测试温区,测试了单相样品(x=0.02,0.03,0.04)的电导率、Seebeck系数和热导率.测试 关键词： 氧化钛陶瓷 热电性能 氧空位     

Mo掺杂SrBi4Ti4O15陶瓷的铁电介电性能

用传统的固相烧结工艺，制备了钼掺杂铁电陶瓷样品SrBi₄Ti₄O₁₅(SBTi)铁电陶瓷SrBi_4-2x/3Ti_4-xMo_xO₁₅(x=0.00，0.003，0.012，0.03，0.06，0.09).X射线衍射的结果表明，样品均为单一的层状钙钛矿结构相，Mo掺杂未改变SBTi的晶体结构.通过扫描电子显微镜观测发现，样品晶粒为片状，随掺杂量的增加，晶粒逐 关键词： 4Ti₄O₁₅')" href="#">SrBi₄Ti₄O₁₅ Mo掺杂 剩余极化 居里温度     

La掺杂SrBi4Ti4O15铁电材料性能研究

按x=0.00，0.10，0.25，0.50，0.75和1.00，采用固相烧结工艺，制备了不同La掺杂量的SrBi_4-xLa_xTi₄O₁₅的陶瓷样品. 用x射线衍射对其微结构进行了分析，并测量了铁电、介电性能.结果发现，La掺杂未改变SrBi₄Ti ₄O₁₅的晶体结构.随掺杂量的增加，样品的矫顽场(E_c)下降，剩余极化(2P_{关键词： 4-x}La_xTi₄O₁₅')" href="#">SrBi_4-xLa_xTi₄O₁₅ La掺杂 铁电性能 相变温度 弛豫铁电     

Co掺杂Bi5Ti3FeO15多铁陶瓷的磁电性能

采用了传统的固相烧结工艺制备出Bi₅Fe_1-xCo _{x Ti3O15(BFCT-x,x=0.0—0.6)多铁陶瓷样品,研究了Co掺杂对Bi5FeTi3O15(BFTO)微观结构、铁电和磁性能的影响.X射线衍射谱显示样品均已形成四层铋系层状钙钛矿相,且随着掺杂量的增加发生了结构变化.拉曼光谱进一步证实掺入的Co占据了< 关键词： 固相烧结 多铁陶瓷 剩余磁化 剩余极化}     

(1-x)(K0.5Na0.5)NbO3-xSrTiO3陶瓷的弛豫铁电性能

通过对（1-x）（K_0.5Na_0.5）NbO₃-xSrTiO₃（0≤x≤0.15）陶瓷的相组成、晶体结构和介电性能的研究发现,该陶瓷为单一的钙钛矿结构相.当x含量较小（x＜0.1）时为正交相结构,x≥0.1时转变为四方相结构.随着SrTiO₃掺杂量的增加,样品的致密度增加,样品由正常铁电相逐渐向弥散铁电相转变,且相 关键词： 弛豫铁电体 0.5Na_0.5）NbO₃铁电陶瓷')" href="#">（K_0.5Na_0.5）NbO₃铁电陶瓷 3掺杂')" href="#">SrTiO₃掺杂 相变温度     

Dy掺杂对Sr2Bi4Ti5O18铁电陶瓷性能的影响

用传统固相烧结法制备了Sr₂Bi_4-xDy_xTi₅ O₁₈(SBDT-x, x=0—0.20)陶瓷样品. x射线衍射分析表明, 微量的Dy掺杂没有影 响Sr₂Bi₄Ti₅O₁₈(SBTi) 原有的层状钙钛 矿结构. 通过研究样品的介电特性, 发现Dy掺杂减小了材料的损耗因子, 降低了样品铁电- 顺电相转变的居里温度. 铁电性能测量结果表明, 随Dy含量的增加, SBDT-x系列样品的剩余 极化先增大, 后减小. 当Dy掺杂量为0.01时, 剩余极化达到最大值, 约为20.1 μC·cm^-2. 掺杂引起剩余极化的变化, 与材料中缺陷浓度、内应力以及晶格畸变程度等因 素有关, 是多种作用机理相互竞争的结果. (Bi₂O₂)²⁺ 层通常被看作是绝缘层和空间电荷库, 对材料的铁电性能起关键作用. 掺杂离子进入(Bi2O₂)²⁺层会导致铁电性能变差. 关键词： 2Bi₄Ti₅O₁₈陶瓷')" href="#">Sr₂Bi₄Ti₅O₁₈陶瓷 Dy掺 杂 铁电性能 居里温度     

静水压下锆锡钛酸铅铁电陶瓷相变和介电性能研究

研究了铌掺杂锆锡钛酸铅铁电陶瓷Pb_0.99Nb_0.02[(Zr_0.90Sn_0.10)_0.96Ti_0.04]_0.98O₃(PZST 90/10-4-2Nb)在静水压(0-300 MPa)下的电荷释放量和介电性能. 对压力诱导的低温铁电三方(F_R(LT))→反铁电正交(A_O)相变进行了研究. PZST 90/10-4-2Nb铁电陶瓷分为未极化、极化和压力去极化三种. 极化PZST 90/10-4-2Nb陶瓷F_R(LT)→A_O相变过程中,电荷释放量为29.3 μC/cm²,相变压力为140 MPa. 介电性能表明:极化PZST 90/10-4-2Nb陶瓷相变压力为136 MPa,而未极化陶瓷相变压力为104 MPa,压力去极化陶瓷未表现出明显的相变特征. 关键词： 静水压 铁电陶瓷 相变 介电     

多铁材料Bi1-xCaxFeO3的介电、铁磁特性和高温磁相变

采用溶胶凝胶法制备Bi_1-xCa_xFeO₃ (x=0, 0.05, 0.1, 0.15, 0.2)陶瓷样品. X衍射图谱表明所有样品的主衍射峰均与纯相BiFeO₃相符合且具有良好的晶体结构. 随着x的增大, Bi_1-xCa_xFeO₃样品的主衍射峰由双峰(104)与(110) 逐渐重叠为单峰(110), 当x ≥0.15时, 样品呈现正方晶系结构; 扫描电镜形貌分析可知, 晶粒由原来的0.5 μm逐渐增大到2 μm. Bi_1-xCa_xFeO₃样品介电常数和介电损耗随着x 的增加先增大而后减小. 当f=1 kHz, Bi_0.9Ca_0.1FeO₃ 的介电常数达到最大值, 是BiFeO₃的7.5倍, 而Bi_0.8Ca_0.2FeO₃的介电常数达到最小值, 仅仅是BiFeO₃的十分之一. Bi_1-xCa_xFeO₃样品所呈现的介电特性是由偶极子取向极化和空间电荷限制电流两种极化机理共同作用的结果. 随着Ca²⁺ 的引入, BiFeO₃ 样品的铁磁性显著提高. X射线光电子能谱图表明Fe²⁺和Fe³⁺ 共存于Bi_1-xCa_xFeO₃ 样品中, Fe²⁺/Fe³⁺比例随着Ca²⁺ 掺杂量的增加而增大, 证明Ca²⁺掺杂增加了Fe²⁺的含量, 增强BiFeO₃的铁磁特性. 从M-T曲线观察到BiFeO₃样品在878 K附近发生铁磁相变, 示差扫描量热法测试再次证明BiFeO₃ 在878 K发生相变. Ca²⁺掺杂使BiFeO₃样品的T_N略有变化而T_M基本不变, 其主要原因是Fe-O-Fe反铁磁超交换作用的强弱和磁结构相对稳定.     

常压CVD法合成铌掺杂少层MoS2

利用粉体NbCl₅作为Nb掺杂源,采用常压CVD方法合成了大尺寸Nb掺杂的少层MoS₂薄膜。通过扫描电子显微镜和原子力显微镜观察获得了该薄膜样品的形貌和厚度信息。拉曼光谱和X射线光电子谱测试证实了Nb被掺入到了MoS₂薄膜中,Nb掺杂的MoS₂合金薄膜已经形成。最后,对Nb掺杂的少层MoS₂薄膜的电学性质进行了测试。     

锰掺杂对Ba(Zr,Ti)O3陶瓷压电与介电性能的影响

采用氧化物固相反应法制备了锰掺杂改性的Ba(Zr_0.06Ti_0.94)O₃陶瓷.研究了锰的掺杂量对Ba(Zr_0.06Ti_0.94)Mn_xO₃ (BZTM)陶瓷的结构、介电和压电性能的影响.实验发现,当锰含量x<0.5 mol%时进入晶格,使材料压电性能提高,损耗减小,表现出受主掺杂的特性;当锰含量x>0.5 mo 关键词： Ba(Zr 3 陶瓷')" href="#">Ti)O₃ 陶瓷 锰掺杂 介电性能 压电性能     

Nb在Ni3Al中取代行为及合金化效应的第一性原理研究

采用基于第一性原理的平面波赝势方法,研究了Nb原子在Ni₃Al中的格点取代行为及合金化效应.通过对不同原子被置换后体系的形成热、结合能及电子态密度的计算和比较,发现Nb原子倾向于取代Ni₃Al中的Al原子,其取代行为主要由系统的电子结构决定,计算结果与实验相符.为了进一步研究Nb原子的取代行为,对Nb原子占据的格点以松散或紧凑分布下体系的总能、形成热、结合能以及电子态密度进行了计算,结果表明Nb原子占据的格点更倾向于紧凑分布.为了研究Nb对Ni_{3关键词： 第一性原理 3}Al合金')" href="#">Ni₃Al合金 电子结构 合金化效应     

Improvement of photorefractive properties in Hf:Fe:LiNbO3 crystals with various [Li]/[Nb] ratios

Photorefractive properties of Hf:Fe:LiNbO3 crystals with various [Li]/[Nb] ratios have been investigated at 488 nm wavelength based on the two-wave coupling experiment. High diffraction efficiency and large recording sensitivity are observed and explained. The decrease in Li vacancies is suggested to be the main contributor to the increase in the photoconductivity and subsequently to the induction of the improvement of recording sensitivity. The saturation diffraction efficiency is measured up to 80.2%, and simultaneously the recording sensitivity of 0.91 cm/J is achieved to in the Hf:Fe:LiNbO3 crystal grown from the melt with the [Li]/[Nb] ratio of 1.20, which is significantly enhanced as compared with those of the Hf:Fe:LiNbO3 crystal with the [Li]/[Nb] ratio of 0.94 in melt under the same experimental conditions. Experimental results definitely show that increasing the [Li]/[Nb] ratio in crystal is an effective method for Hf:Fe:LiNbO3 crystal to improve its photorefractive properties.     

用于电压基准的Nb/NbxSi1-x/Nb约瑟夫森单结的研制

现代可编程约瑟夫森电压基准的核心器件是约瑟夫森结阵.目前最具有优势的约瑟夫森结阵是 Nb/Nb_xSi_1-x/Nb材料的结阵. Nb/Nb_xSi_1-x/Nb材料的约瑟夫森结 具有三层薄膜的制作过程简便, Nb和Nb_xSi_1-x刻蚀工艺相同以及Nb_xSi_1-x 势垒层成分可调等优点.中国计量科学研究院设计制作了Nb/Nb_xSi_1-x/Nb约瑟夫森单结. 通过在4.2 K低温下对所做单结进行直流电流-电压特性测量,观测到了清晰的超导隧穿电流和 从零电压态向电压态的跳变,最后就测量结果进行了分析讨论.此项工作属于国内首个开展 Nb/Nb_xSi_1-x/Nb材料约瑟夫森单结研究的工作.     

Enhanced alignment and magnetic properties of die-upset nano-crystal Nd2Fe14B magnets with Nb addition

It is difficult to obtain the crystallographic alignment for stoichiometric Nd₂Fe₁₄B alloys by applying the melt-spun and subsequent hot-pressing and hot-deformation techniques. However, the enhanced alignment and magnetic properties of die-upset nano-crystal Nd₂Fe₁₄B magnets have been obtained by Nb addition in the present paper. The magnetic properties studies show that Nb addition leads to the remarkable increase of remanence B_r and intrinsic coercivity H_ci, which is due to the improvement of c-axis texture and refinement of microstructure. Microstructure studies using transmission electron microscopy (TEM) and X-ray diffraction (XRD) reveal that Nb atoms are enriched at grain boundary and the NbFeB phase is observed with increasing Nb content. Since some Fe atoms in the Nd₂Fe₁₄B phase participate in the formation of NbFeB phase, the excessive Nd atoms may be enriched at grain boundary, which may improve the physical property of grain boundary and provide a mass transport pass for preferential growth of oriented Nd₂Fe₁₄B grains, thus leading to the enhanced alignment and magnetic properties.     

锐钛矿相和金红石相TiO2:Nb的光电性能研究

采用基于密度泛函理论的第一性原理计算了锐钛矿相和金红石相TiO₂:Nb的晶体结构、电子结构和光学性质. 结果表明, 在相等的摩尔掺杂浓度下(6.25%), 锐钛矿相TiO₂:Nb的导带底电子有效质量小于金红石相TiO₂:Nb, 且前者室温载流子浓度是后者的两倍左右, 即具有更大的施主杂质电离率, 从而解释了锐钛矿相TiO₂:Nb比金红石相TiO₂:Nb具有更优异电学性能的实验现象. 光学计算也表明锐钛矿相在可见光区有更大的透过率, 从而在理论上解释了锐钛矿相TiO₂:Nb比金红石相TiO₂:Nb更适于做透明导电材料的原因. 计算结果与实验数据能较好符合. 关键词： 2:Nb')" href="#">TiO₂:Nb 第一性原理 电子结构 光学性能     

First-principles study of electronic properties and stability of Nb5SiB2（001） surface

The density functional calculations are performed to study the electronic structure and stability of Nb 5 SiB 2(001) surface with different terminations.The calculated cleavage energies along the(001) planes in Nb 5 SiB 2 are 5.015 J · m 2 and 6.593 J · m 2 with the break of Nb-Si and Nb-NbB bonds,respectively.There exists a close correlation between the surface relaxation including surface ripple and the cleavage energy:the larger the cleavage energy,the larger the surface relaxation.Moreover,the surface stability of the Nb 5 SiB 2(001) with different terminations has been investigated by the chemical potential phase diagram.From a thermodynamics point of view,the four terminations can be stabilized under different conditions.In chemical potential space,NbB(Nb) and Nb(Si) terminations are just stable in a small area,whereas Si(Nb) and Nb(NbB) terminations are stable in a large area(the letters in brackets represent the subsurface atoms).     

Influence of Li/Nb ratios on defect structure and photorefractive properties of Zn: In: Fe: LiNbO3 crystals

A series of Zn: In: Fe: LiNbO₃ crystals are grown by the Czochralski technique with various ratios of Li/Nb = 0.94, 1.05, 1.20 and 1.38 in the melt. The Zn, In, Fe, Nb and Li concentrations in the crystals are analyzed by inductively coupled plasma (ICP) spectrometry. The results indicate that with increasing the [Li]/[Nb] ratio in melt, [Li]/[Nb] ratio increases and goes up continuously in the crystal, the segregation coefficients of both Zn and In ions decrease. The absorption spectra measurement and two-wave coupling experiment are employed to study the effect of [Li]/[Nb] ratio on photorefractive properties of Zn: In: Fe: LiNbO₃ crystals. It is found that the [Li]/[Nb] ratio increases, the write time is shortened and the photorefractive sensitivity is improved.     

Geometries, stabilities and electronic properties of small Nb-doped gallium clusters: A density functional theory study

The host Ga_n+1 and doped Ga_nNb (n=1-9) clusters with several spin configurations have been systematically investigated by a relativistic density functional theory (DFT) with the generalized gradient approximation. The optimized equilibrium geometries tend to prefer the close-packed configurations for small Nb-doped gallium clusters up to n=9. The average binding energies per atom (E_b/atom), second-order differences of total energies (Δ₂E), fragmentation energies (E_f) and HOMO-LUMO gaps of Ga_n+1 and Ga_nNb (n=1-9) clusters are studied. The results indicate the doping of Nb atom in gallium clusters improves the chemical activities. In particular, the clusters with sizes of Ga₄Nb and Ga₇Nb are found to be more stable with respect to their respective neighbors. Our calculated vertical ionization potentials (VIPs) exhibit an obvious oscillating behavior with the cluster size increasing, except for Ga₃ and Ga₄Nb, suggesting the Ga₃, Ga₅, Ga₇, GaNb, Ga₃Nb, Ga₆Nb and Ga₈Nb clusters corresponding to the high VIPs. In the case of vertical electron affinities (VEAs) and chemical hardness η, VEAs are slightly increasing whereas chemical hardness η decreasing as Ga_nNb cluster size increases. Besides, the doping of Nb atom also brings the decrease as the cluster sizes increases for atomic spin magnetic moments (μ_b).     

Nb/SnO2复合薄膜的制备、结构及光电性能

用溶胶-凝胶旋涂法在玻璃基底上制备出Nb/SnO₂复合透明导电薄膜,利用XRD,SEM,紫外—可见分光光度计,四探针电阻仪等测试方法对Nb/SnO₂复合薄膜的结构和物性进行了研究.结果表明: 当Nb含量小于0.99at%时,Nb/SnO₂复合薄膜为较纯的四方金红石结构;复合薄膜中晶粒分布均匀,平均尺寸在5—7 nm.当Nb含量小于0.99at%时,Nb/SnO₂复合薄膜的电阻率先减小后增大,当Nb含量为0.37at%时 关键词： 溶胶-凝胶法 2复合薄膜')" href="#">Nb/SnO₂复合薄膜 结构表征 光电性能     

The mechanical,thermodynamic and electronic properties of Al3Nb with DO22 structure: A first-principles study

The lattice constants, elastic properties, electronic structure and thermodynamic properties of Al₃Nb with DO₂₂ structure have been investigated by the first-principles calculation. The calculated lattice constants were consistent with the experimental values, and the structural stability was also studied from the energetic point of view. The single-crystal elastic constants (C_ij) as well as polycrystalline elastic parameters (bulk modulus B, shear modulus G, Young's modulus E, Poisson's ratio υ and anisotropy value A) were calculated, and brittleness of Al₃Nb was discussed in detail. Besides, the electronic structure of tetragonal Al₃Nb was studied, which indicates a mixture of metallic bond and covalent bond in Al₃Nb and reveals the underlying mechanism of the stability and elastic properties of Al₃Nb. Finally, the thermodynamic properties of Al₃Nb were calculated and the physical properties such as heat capacity and Debye temperature were predicted within the quasi-harmonic approximation.