溶胶-凝胶法制备Bi0.5Na0.5TiO3陶瓷及其电学特性

用溶胶-凝胶工艺成功制备出Bi05Na05TiO3纳米微粉，并利用此微粉烧结出高致密度的Bi05Na05TiO3陶瓷.这种新工艺制备的Bi05Na05TiO3陶瓷，其压电性能远远高于普通方法制备的陶瓷，其中压电常数d33和机电耦合系数kt分别高达102×10-12C/N和58%.同时发现，对于这种Bi05Na05TiO3陶瓷，室温时只需施加100kV/cm左右的交变电场，就可得到矩形度极好的饱和回线，得到的剩余极化Pr和矫顽场Ec分别为32μC/cm2和61kV/cm.而在100℃以上只需施加35kV/cm的极化电场就可使样品充分极化.     

K0.5Bi0.5TiO3—Na0.5Bi0.5TiO3系统铁电陶瓷相界的X射线研究

用X射线衍射方法测定了K_0.5Bi_0.5TiO₃—Na_0.5Bi_0.5TiO₃系统不同组分试样的点阵常数和相变温度,确定了四方-三方相界组成。给出了K_0.5Bi_0.5TiO₃和Na_0.5Bi_0.5TiO₃的多晶X射线衍射数据。 关键词：     

Bi0.5Ba0.5FeO3 陶瓷的电性能及阻抗分析

以传统的固相反应法制备了Bi_0.5Ba_0.5FeO₃陶瓷,并采用X射线衍射仪、扫描电子显微镜、直流阻温测试仪和交流阻抗分析仪测试了Bi_0.5Ba_0.5FeO₃陶瓷的微结构和电性能.分析结果表明:Bi_0.5Ba_0.5FeO₃陶瓷具有立方钙钛矿结构,颗粒尺寸约1.0 μm;在16—280 ℃范围内,Bi_0.5Ba_0.5FeO₃陶瓷表现出明显的负温度系数热敏效应,其热敏常数、活化能分别为6490 K及0.558 eV;介电温谱揭示,在280 ℃下Bi_0.5Ba_0.5FeO₃陶瓷材料没有出现相变行为.对于交流阻抗谱,采用3个串联的RQ(R与Q为并联)等效部件来拟合分析,拟合结果表明拟合数据与实验数据高度匹配,且这3个等效部件分别代表晶界、晶粒和晶壳的贡献.3个部件中,晶粒对陶瓷电阻阻值的影响最大,晶壳贡献次之,晶界最小,且3个部件电阻值都显示出负温度系数效应.在25—115 ℃范围内,电学模量虚部峰频与阻抗虚部峰频始终不匹配,意味着Bi_0.5Ba_0.5FeO₃陶瓷体内部一直表现出局域导电机理. 关键词： 0.5Ba_0.5FeO₃陶瓷')" href="#">Bi_0.5Ba_0.5FeO₃陶瓷 电性能 阻抗分析     

Ba0.5Sr0.5TiO3有序构型的第一性原理研究

采用第一性原理计算了Ba_0.5Sr_0.5TiO₃三种有序构型的晶格结构和对应的电子结构,晶格结构的详细分析结果表明BST{100}有序构型为四方相,Ti-O八面体中Ti原子和Ba-Sr平面上的O原子沿[100]方向分别偏心位移0.040 Å和0.065 Å,八面体畸变导致反平行自发极化出现,构型处于反铁电态. BST{110}构型也是四方相,并且(110)和(1 关键词： 钛酸锶钡 第一性原理 有序结构 铁电性     

拓扑绝缘体(Bi0.5Sb0.5)2Te3薄膜中的线性磁阻

本文报道了拓扑绝缘体(Bi_0.5Sb_0.5)₂Te₃薄膜中线性磁阻问题的系统性研究工作. 此体系中, 线性磁阻在很宽的温度和磁场范围内出现: 磁场高达18 T时磁阻仍没有饱和趋势, 并且当温度不高于50 K时, 线性磁阻的大小对温度的变化不敏感. 栅压调控化学势可明显改变线性磁阻的大小. 当化学势接近狄拉克点时, 线性磁阻最为显著. 这些结果说明电荷分布的不均匀性是引起该材料线性磁阻的根源.     

Ca0.5Sr0.5TiO3弹性和热学性质的第一性原理研究

利用能量最小原理, 确定了Ca_0.5Sr_0.5TiO₃晶体中4c位置的Ca/Sr原子对称分布, 建立了Ca_0.5Sr_0.5TiO₃稳定的晶体结构, 在此基础上利用基于密度泛函理论第一性原理的平面波超软赝势方法, 采用局域密度近似和广义梯度近似函数, 计算了Ca_0.5Sr_0.5TiO₃的晶格参数、弹性常数、体弹模量、剪切模量、杨氏模量、泊松比, 并基于Christoffel方程的本征值研究了平面声波的特征, 基于Cahill和Cahill-Pohl模型研究了最小热导率的特征. 计算结果表明: Ca_0.5Sr_0.5TiO₃晶格参数和实验值很接近, 体弹模量大于剪切模量, [100], [010], [001]晶向的杨氏模量、泊松比、普适弹性常数(A^U)以及杨氏模量三维图均显示了弹性各向异性; 平面声波在(010), (001)平面呈现各向异性, 在(100)平面呈现各向同性, 平面声波大小与平均横波和平均纵波的数值很接近. Cahill模型最小热导率在各平面呈现各向同性, Cahill-Pohl模型最小热导率在高温时趋于恒定. 准谐德拜模型下Ca_0.5Sr_0.5TiO₃ 晶体的摩尔热容和热膨胀系数与CaTiO₃晶体的接近, 并且高温下具有稳定的热膨胀性能. 计算所得禁带宽度为2.19 eV, 导带底主要是Ti-3d与O-2p态电子贡献; 由电荷布居和电荷密度图理论证实Ca_0.5Sr_0.5TiO₃具有稳定的Ti-O八面体结构.     

Ba0.5Sr0.5TiO3电子结构和光学性质的第一性原理研究

利用第一性原理研究了Ba_0.5Sr_0.5TiO₃的能带结构和光学性质.结果表明,导带和价带都来源于钛原子3d轨道和氧原子2p轨道的杂化.导带主要由钛原子的3d轨道贡献,价带主要由氧原子的2p轨道贡献.吸收系数为10⁵ cm^-1量级,且吸收主要集中在低能区.折射率为n（0）=2.1,结果与实验符合. 关键词： 第一性原理 能带结构 光学性质     

La0.3Sr0.7TiO3模板层对Pb(Zr0.5Ti0.5)O3薄膜的铁电性能增强效应的研究

通过sol-gel法在Si (111) 基片上分别制备了LaNiO₃(LNO)底电极和LaNiO₃/La_0.3Sr_0.7TiO₃ (LNO/LSTO)底电极.然后采用sol-gel 方法，在两种衬底上分别制备了Pb (Zr_0.5Ti_0.5)O₃ (PZT)铁电薄膜.XRD分析表明，两种PZT薄膜均具有钙钛矿结构，且在LNO底电极上的PZT薄膜呈(100) 择优取向，而在LNO/LSTO底电极上的PZT薄膜呈随机取向.铁电性能测试表明，相对LNO衬底上制备的PZT薄膜，在LNO/LSTO底电极上制备的PZT薄膜的剩余极化强度得到了有效的增强，同时矫顽场也增大.介电常数和漏电流的测试表明，LNO/LSTO底电极上制备的PZT薄膜具有大的介电常数和漏电流. 关键词： PZT薄膜 铁电性 漏电流 0.3Sr_0.7TiO₃')" href="#">La_0.3Sr_0.7TiO₃     

Bi0.5Ba0.5Fe0.5Ti0.49Nb0.01O3热敏陶瓷的微结构和电学性能研究

采用固相合成工艺,制备了Bi_05Ba_05Fe_05Ti_049Nb_001O₃（BBFTN）热敏陶瓷,借助X射线衍射仪、扫描电子显微镜、阻温测试仪和交流阻抗谱考察其微结构、直流电阻、介电特性、阻抗和电学模量方面的电学性能. 结果表明：BBFTN材料依然为立方钙钛矿结构,平均晶粒尺寸约为10 μm,晶格常数相对于BaTiO₃的晶格常数有所变大;室温电 关键词： 05Ba_05Fe_05Ti_049Nb_001O₃')" href="#">Bi_05Ba_05Fe_05Ti_049Nb_001O₃ 微结构 电学性能     

Investigation of structural,physical and optical properties of CeO2–Bi2O3–B2O3 glasses

xCeO₂–30Bi₂O₃–(70−x) B₂O₃ glasses are synthesized by using the melt quench technique. A number of studies such as XRD, density, molar volume, optical band gap, refractive index and FTIR spectroscopy are employed to characterize the glasses. The band gap decreases from 2.15 to 1.61 eV, refractive index increases from 2.67 to 2.93 and density increases from 4.151 to 4.633 g/cm³. The decrease in band gap with CeO₂ doping approaches the semiconductor behavior. FTIR spectroscopy reveals that incorporation of CeO₂ into glass network helps to convert the structural units of [BO₃] into [BO₄] and results in Bi–O bond vibration of [BiO₆].     

Bi0.5Ca0.5Mn1-xCoxO3体系中的电荷有序和相分离

利用固相反应法制备了Bi_0.5Ca_0.5Mn_1-xCo_xO₃(0≤x≤0.12)系列多晶样品.研究了Co掺杂对Bi_0.5Ca_0.5MnO₃电荷有序的影响.结果表明,Co掺杂导致电荷有序相逐渐融化、铁磁相互作用的增强;当x≥0.08时,电荷有序转变峰完全消失,但残留的反铁磁电荷有 关键词： 钙钛矿锰氧化物 电荷有序 团簇玻璃 相分离     

过渡金属掺杂在Na0.5Bi0.5TiO3体系中诱导产生磁性的第一性原理研究

The origins of magnetism in transition-metal doped Na_0.5Bi_0.5TiO₃ system are investigated by ab initio calculations. The calculated results indicate that a transition-metal atom substitution for a Ti atom produces magnetic moments, which are due to the spin-polarization of transition-metal 3d electrons. The characteristics of exchange coupling are also calculated, which shows that in Cr-/Mn-/Fe-/Co-doped Na_0.5Bi_0.5TiO₃ system, the antiferromagnetic coupling is favorable. The results can successfully explain the experimental phenomenon that, in Mn-/Fe-doped Na_0.5Bi_0.5TiO₃ system, the ferromagnetism disappears at low temperature and the paramagnetic component becomes stronger with the increase of doping concentration of Mn/Fe/Co ions. Unexpectedly, we find the Na_0.5Bi_0.5Ti_0.67V_0.33iO₃ system with ferromagnetic coupling is favorable and produces a magnetic moment of 2.00 μB, which indicates that low temperature ferromagnetism materials could be made by introducing V atoms in Na_0.5Bi_0.5TiO₃. This may be a new way to produce low temperature multiferroic materials.     

Na0.25K0.25Bi0.5TiO3无铅压电陶瓷的介电特性研究

用固相反应法制备了Na_0.25K_0.25Bi_0.5TiO₃ (NKBT50)陶瓷，研究了该陶瓷在室温至400℃温度范围内的介电性能.发现该陶瓷的介电温谱与烧结气氛、极化状态有关.在空气中烧结的未极化样品在70℃附近存在介电和损耗峰，而极化后及在氧气氛中烧结的样品并不存在该介电、损耗峰.分析认为70℃的介电和损耗峰与氧空位形成的缺陷偶极子的极化弛豫有关.热激电流显示，陶瓷的去极化温度为225℃，与此相对应的介电、损耗峰也 关键词： 介电性能 氧空位 极化弛豫 钛酸铋钠钾     

Broadband near-IR emission and temperature dependence in Er/Tm co-doped Bi2O3–SiO2–Ga2O3 glasses

The broadband near-IR emission has been investigated in a series of Er/Tm co-doped Bi₂O₃–SiO₂–Ga₂O₃ (BSG) glasses with 800 nm laser diode as an excitation source. A broadband emission extending from 1350 to 1650 nm with a full width at half maximum (FWHM) around 165 nm is obtained in 0.2 wt% Er₂O₃ and 1.0 wt% Tm₂O₃ co-doped BSG glass. The fluorescence decay curves of glasses are measured and maximum energy transfer efficiency from Er³⁺ to Tm³⁺ reaches 71% when Tm³⁺ concentration is 1.0 wt%. The temperature dependence of the broadband emission spectra in Er³⁺–Tm³⁺ co-doped BSG glass is also recorded to further understand the energy-transfer processes between Er³⁺ and Tm³⁺. The present work suggests that Er/Tm co-doped BSG glasses can be a potential candidate for broadband integrated amplifier.     

Nano-powders of Na0.5K0.5NbO3 made by a sol–gel method

Sodium potassium niobate (NKN) nano-particle powders were synthesised through the thermal decomposition of a sol–gel NKN precursor. Powders and gels were characterised by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA) and transmission electron microscopy (TEM). Hydrated carbonate phases formed as a result of reaction with evolved vapours during organic decomposition, and by reaction of NKN powders with H₂O and CO₂ on exposure to air. The primary particle size of the powders increased from <50 to <250 nm as decomposition temperatures were raised from 500 to 950 °C.     

氧压对Ba0.6Sr0.4TiO3薄膜晶格常数的影响及BaTiO3/Ba0.6Sr0.4TiO3超晶格的制备

采用脉冲激光沉积(PLD)技术,经一系列的优化实验成功地制备了BaTiO₃(BT)和Ba_0.6Sr_0.4TiO₃(BST)单层膜.X射线衍射分析表明,在LaAlO₃(001)单晶平衬底上生长的BT和BST薄膜都是沿[001]取向的近外延生长.且随着氧压在10^-3—25 Pa范围内逐渐增大,BST薄膜的晶格常数与氧压之间近似满足Boltzmann函数关系.其次,在此优化条件下还 关键词： 超晶格 晶格常数 激光感生热电电压 脉冲激光沉积     

Structure, ferroelectric and piezoelectric properties of?(Bi0.98?xLa0.02Na1?x)0.5BaxTiO3 lead-free ceramics

Lead-free (Bi_0.98−x La_0.02Na_1−x )_0.5Ba _x TiO₃ ceramics have been prepared by an ordinary sintering technique and their structure, ferroelectric and piezoelectric properties have been studied. The results of X-ray diffraction show that La²⁺ and Ba²⁺ diffuse into the Bi_0.5Na_0.5TiO₃ lattices to form a new solid solution with a pure perovskite structure, and a morphotropic phase boundary (MPB) exists at 0.04<x<0.10. Compared with pure Bi_0.5Na_0.5TiO₃ ceramics, the (Bi_0.98−x La_0.02Na_1−x )_0.5Ba _x TiO₃ ceramics possess much smaller coercive field E _c and larger remanent polarization P _r. Because of the low E _c (3.38 kV/mm), large P _r (46.2 μC/cm²) and the formation of the MPB of rhombohedral and tetragonal phases, the piezoelectric properties of the ceramics are significantly enhanced at x=0.06: d ₃₃=181 pC/N and k _p=36.3%. The depolarization temperature T _d reaches a minimum value near the MPB. The ceramics exhibit relaxor characteristic, which is probably a result from the cation disordering in the 12-fold coordination sites. The temperature dependences of the ferroelectric and dielectric properties suggest that the ceramics may contain both polar and non-polar regions at the temperatures above T _d.     

Effects of K4CuNb8O23 on phase structure and electrical properties of K0.5Na0.5NbO3–LiSbO3 lead-free piezoceramics

Dense K₄CuNb₈O₂₃ (KCN) modified 0.948K_0.5Na_0.5NbO₃–0.052LiSbO₃ (KNNLS) ceramics were prepared by conventional solid state reaction method. The effect of addition of K₄CuNb₈O₂₃ liquid phase sintering aid on the phase structure and electrical properties of ceramics was studied. Results showed that K₄CuNb₈O₂₃ induced a perovskite structure transition from coexistence of orthorhombic and tetragonal phases to orthorhombic symmetry. The addition of K₄CuNb₈O₂₃ promoted the sintering of KNNLS ceramics. In particular, the K₄CuNb₈O₂₃ addition to the KNNLS greatly improved the mechanical quality factor Q_m value. The ceramics with x=0.8 sintered at 1090 °C possess the optimum properties (Q_m=192, d₃₃=135 pC/N, tan δ=0.024 and k_p=0.357). These results indicate that the ceramic is a promising candidate for lead-free high-power piezoelectric devices, such as piezoelectric actuators, transformers and filter materials.     

Sr3Gd0.5-xTb0.5(BO3)3∶xEu3+的发光性质及能量传递

采用高温固相法制备了Sr₃Gd_0.5-xTb_0.5(BO₃)₃∶xEu³⁺系列荧光粉,并研究了其发光性质与能量传递过程。Sr₃Gd_0.5-xTb_0.5(BO₃)₃∶xEu³⁺系列荧光粉在300~400 nm的近紫外光有效激发下产生489,544,594,614,624 nm的发射谱线,分别对应于Tb³⁺和Eu³⁺的特征跃迁。荧光寿命测试表明,随着Eu³⁺掺杂浓度的增大,Tb³⁺寿命逐渐缩短,证实该体系中存在Tb³⁺→Eu³⁺的能量传递过程,能量传递效率最大值为20.53%。在对Tb³⁺和Eu³⁺的能级结构进行分析的基础上,进一步探讨了Tb³⁺→Eu³⁺能量传递过程。Sr₃Gd_0.5-xTb_0.5-(BO₃)₃∶xEu³⁺系列荧光粉具有良好的红色发光性质,是潜在的可以应用于白光LED的光转换材料。