面外应变对1-3型垂直异质P(VDF-TrFE)基复合薄膜电热性能的调控

考虑1-3型垂直异质铁电P（VDF-TrFE）基复合薄膜结构,利用非线性的热力学理论分析和讨论了平面外应变对复合薄膜电热性能的调控作用. 结果表明,在施加的垂直电场下,平面外应变可以有效地调控电极化、热释电系数、绝热温差等铁电、电热性能. 通过合理的调控平面外应变可以在很大的温度区域范围内获得比纯平面外延薄膜结构更高的绝热温差. 研究结果预示着垂直异质P（VDF-TrFE）基复合薄膜结构在一定的工作温度范围内具有优异的电热性能,在微电源、光通信二极管、红外传感器等微型元件方面有着广泛的应用前景. 关键词： 电热效应 平面外应变 P(VDF-TrFE)复合薄膜 绝热温差     

超高温度系数V0.97W0.03 O2多晶薄膜的制备研究

将V₂O₅粉体与WO₃粉体均匀混合并压制成靶，用离子束增强沉积加后退火技术在SiO₂衬底上制备掺钨VO₂多晶薄膜.X射线衍射表明，薄膜取向单一，为VO₂结构的［002］相,晶格参数d比VO₂粉晶增大约0.34%；薄膜从半导体相向金属相转变的相变温度约28；室温(300 K)时的电阻-温度系数(TCR)可大于10%/K，是目前红外热成像薄膜TCR的四倍.W离子的半径大于V离子的半径，W的掺入在薄膜中引入了张应力,使薄膜相变温度降低到室温附近，是IBED V_0.97W_0.03O₂薄膜的室温电阻温度系数提高的原因. 关键词： 二氧化钒薄膜 薄膜掺杂 离子束增强沉积     

Dy3Al5O12磁热性质研究

用量子理论计算了Dy₃Al₅O₁₂的晶场能谱、Zeeman劈裂能级和波函数. 在外磁场H_e为0<H_e<9 T, 温度为3<T<42 K 范围内, 计算了该晶体的磁矩、磁熵变, 计算结果与相关实验数据吻合较好. 该计算结果表明, Dy₃Al₅O₁₂内磁性离子间的交换作用非常微弱, 可以忽略. 从理论上给出了绝热退磁过程中温度变化ΔT与T的关系, 并与Gd₃Ga₅O₁₂晶体进行了比较, 发现不同外磁场下, Dy₃Al₅O₁₂和Gd₃Ga₅O₁₂的低温制冷性能在不同温区有差别. 在进行低温(T<10 K)制冷时, 若外磁场较低, 选择Dy₃Al₅O₁₂作为磁制冷材料较好; 若外磁场较高, 选择Gd₃Ga₅O₁₂作为磁制冷材料较好.     

Eu掺杂TbMnO3多晶材料的介电性质

采用固相反应法制备了Tb_0.8Eu_0.2MnO₃多晶材料.对样品的X射线衍射（XRD）分析表明Eu³⁺固溶于TbMnO₃中.测量了样品在低温(100 K ≤T≤ 300 K)和低频下(200 Hz≤f≤100 kHz)的复介电性质.在此温度区间内发现了两个介电弛豫峰.经分析认为低温峰（T≈170 K）起源于局域载流子漂移引起的偶极子极化效应,而高温峰（T≈290 K）则是由离子电导产生的边界和界面层的电容效应引起的.电阻率的测量显示在低温下（T≈230 K）存在明显的导电机制转变. 关键词： 多铁性材料 掺杂 介电性质     

Dy,Co共掺杂对BiFeO3陶瓷磁特性和磁相变温度Tc的影响

采用快速液相烧结法制备BiFeO₃和Bi_0.95Dy_0.05Fe_1-xCo_xO₃ (x=0, 0.05, 0.1, 0.15)陶瓷样品. 实验结果表明: 所有样品的主衍射峰与纯相BiFeO₃相符合且具有良好的晶体结构, 随着Co³⁺掺杂量的增大, Bi_0.95Dy_0.05Fe_1-xCo_xO₃样品的主 衍射峰由双峰(104)与(110)逐渐重叠为单峰(110), 当掺杂量x>0.05时, 样品呈现正方晶系结构; SEM形貌分析可知: Dy³⁺, Co³⁺共掺杂使BiFeO₃晶粒尺度由原来的3—5 μ减小到约1 μ. 室温下, BiFeO₃样品表现出较弱的铁磁性, 随着Dy³⁺和Co³⁺掺杂, BiFeO₃样品的铁磁性显著提高. 在外加磁场为30 kOe的作用下, Bi_0.95Dy_0.05Fe_1-xCo_xO₃ (x=0.05, 0.1, 0.15)的M_r分别为0.43, 0.489, 0.973 emu/g; M_S分别为0.77, 1.65, 3.08 emu/g. BiFeO₃和Bi_0.95Dy_0.05Fe_1-xCo_xO₃样品磁矩M随着温度T的升高而逐渐减小, Dy掺杂使BiFeO₃样品的T_N由644 K升高到648 K, 而T_C基本没有变化. Dy和Co共掺杂导致BiFeO₃样品磁相变温度T_C由870 K降低到780 K, 其T_C变化主要取决于Fe-O-Fe反铁磁超交换作用的强弱和磁结构的相对稳定性. 关键词： 铁磁电材料 磁滞回线 磁相变温度     

尖晶石铁氧体TixNi1-xFe2O4中阳离子分布和Ti离子磁矩的实验研究

采用固相反应法制备了系列样品Ti_xNi_1-xFe₂O₄ (x=0.0, 0.1, 0.2, 0.3, 0.4). 室温下的X射线衍射谱表明样品全部为(A)[B]₂O₄型单相立方尖晶石结构, 属于空间群Fd3m. 样品的晶格常数随Ti掺杂量的增加而增大. 样品在10 K温度下的比饱和磁化强度σ_S随着Ti掺杂量x的增加逐渐减小. 研究发现, 当Ti掺杂量x≥ 0.2时, 磁化强度σ随温度T的变化曲线出现两个转变温度T_L和T_N. 当温度低于T_N时, 磁化强度明显减小; 当温度达到T_N时, dσ/dT具有最大值. σ-T曲线的这些特征表明, 由于Ti掺杂在样品中出现了附加的反铁磁结构. 这说明样品中的Ti离子不是无磁性的+4价离子, 而是以+2和+3价态存在, 其离子磁矩的方向与Fe和Ni离子的磁矩方向相反. 利用本课题组提出的量子力学方势垒模型拟合样品在10 K温度下的磁矩, 得到了Ti, Fe和Ni三种阳离子在(A)位和[B]位的分布情况, 并发现在所有掺杂样品中, 80%的Ti离子以+2价态占据尖晶石结构的[B]位.     

块体非晶合金的黏度与玻璃形成能力的关系

基于经典结晶理论讨论了非晶合金的晶化动力学因素和晶化热力学因素对玻璃形成能力（GFA）的影响.分析表明,合金的等温转变（TTT）曲线“鼻尖”温度T_n对应的黏度与晶化阻力因子成正比;重新加热时晶化开始温度T_x对应的黏度与晶化驱动力因子成反比.由此得到了新的GFA参数ω₀=（T_g-T₀）/（T_x-T₀）-（T_g-T₀）/（T_n-T₀）,其中T_g为玻璃转变温度,T₀为理想玻璃转变温度.统计结果显示,ω₀与临界冷却速率具有较高的相关性,R²高达09626.进一步分析表明：新提出的ω₀参数可以合理地解释过冷熔体的黏度、脆性、液相稳定性、热稳定性以及T_rg、ΔT_x、γ、γ_m、ΔT_rg、α、β、δ和φ等参数与GFA的关系. 关键词： 块体非晶合金 黏度 脆性 玻璃形成能力     

Li-N-H储氢体系热力学性质的第一性原理研究

基于密度泛函理论的第一性原理方法, 系统地研究了Li-N-H储氢过程中各个化合物的晶胞参数、生成焓和化学反应焓. 结果发现优化后的晶格参数与先前的理论和实验研究符合得很好. 通过计算Li₃N, LiH, LiNH₂和Li₂NH在298 K的生成焓分别为-168.7, -81.0, -173.0和-190.8 kJ/mol, 进而计算得到整个储氢反应过程在T=298 K时反应焓为78.5 kJ/mol H₂, 这和他人计算得到T=300 K的结果75.67 kJ/mol H₂非常接近. 最后, 给出了储氢两步反应过程分别在T=298 K时的反应焓, 这些结果都与实验和他人理论计算得到的数据符合较好. 关键词： 第一性原理 热力学性质 Li-N-H 体系 反应焓     

多晶薄膜表面粗化与生长方式转变

采用原子力显微镜研究了磁控溅射多晶薄膜表面粗化行为对归一化沉积温度T_s/T_m(T_s是沉积温度，T_m是材料熔点)的依赖性与薄膜生长方式转变行为.随着T_s/T_m增加，薄膜表面粗糙度增加，而表征粗糙度随时间演化特征的生长指数β历经了先减小再增加的过程.β对T_s/T_m的依赖关系反映了薄膜生长方式的转变行为，即薄膜生长依次由随机生长方式向表面扩散驱动生长方式与异常标度行为生长方式转变.在低于体扩散控制薄膜生长的温度时，晶界扩散机理导致多晶薄膜的表面粗化的异常标度行为. 关键词： 多晶薄膜 表面粗化 温度 生长     

关于MgB2/Al2O3超导薄膜电阻转变和各向异性的研究

利用电子束蒸发方法将MgB₂超导薄膜沉积到Al₂O₃(001)衬底上.采用标准的四引线法研究了磁场平行和垂直超导薄膜ab平面下的电阻转变.一个激活能模型 U(T,H)=U₀(1-T/(T_c+δ))ⁿ(1-H/H 关键词： 2/Al₂O₃')" href="#">MgB₂/Al₂O₃ 超导体 电阻转变 各向异性     

Effect of misfit strain on the electrocaloric effect of P(VDF-TrFE) copolymer thin films

Based on the phenomenological Landau-Devonshire theory, we investigate the effect of misfit strain on the electrocaloric effect of P(VDF-TrFE) copolymer thin films. Theoretical analysis indicates that the compressive misfit strain reduces the working temperature to a great extent where the electrocaloric effect is maximized, which is different from the result of the conventional ferroelectric thin films, such as BaTiO₃. Although the compressive or tensile misfit strain does not change the maximum of the electrocaloric coefficient, the compressive misfit strain decreases the maximum of the adiabatic temperature change and the tensile misfit strain results in the opposite effect. Consequently, control of the misfit strain provides potential means to vary the working temperature for use in cooling systems.     

Effect of misfit strain on the electrocaloric effect in epitaxial SrTiO3 thin films

Based on a phenomenological Landau-Devonshire theory, the effect of misfit strain on the electrocaloric effect in epitaxial SrTiO₃ thin films is investigated. Theoretical analysis indicates that both the electrocaloric coefficient and the adiabatic temperature change strongly depend on the misfit strain. Moreover, the maximum of electrocaloric coefficient almost does not change with increasing the compressive or tensile misfit strain. However, the enhancement of misfit strain enlarges both the adiabatic temperature change and the temperature at which it is maximized. Most importantly, the largest room-temperature electrocaloric effect can be attained at a critical misfit strain. Therefore, it may open more opportunities for practical application in refrigeration devices.     

Effect of an electric field on the electrocaloric response of ferroelectrics

The electrocaloric effect of the model ferroelectric BaTiO_3 was investigated using phenomenological theory. The results indicate that the applied electric field strength is a key factor for the induced electrocaloric response and there are two distinguishing electrocaloric responses. When a moderate electric field is applied, the electrocaloric temperature variation is small but the electrocaloric strength is high. In contrast, the electrocaloric temperature variation is large but electrocaloric strength is low when a very high electric field is applied. These results are consistent with the experimental observations on BaTiO_3 based bulk and thin film ferroelectric materials.     

Size-induced appearance of ferroelectricity in thin antiferroelectric films

In the paper we consider size effects on phase transitions and polar properties of thin antiferroelectric films. We extend the phenomenological approach proposed by Kittel for thin films allowing for gradient (correlation) energy and depolarization field energy. Surface piezoelectric effect as well as misfit strain appear due to lattice constants mismatch between the film and its substrate. Direct variational method is used to derive the free energy with renormalized coefficients depending on the film thickness. Obtained free energy expression allows the calculation of phase diagrams and all electro-physical properties by a conventional minimization procedure. Approximate analytical expressions for the paraelectric–antiferroelectric–ferroelectric transition temperature dependences on film thickness, polarization gradient coefficient, and extrapolation lengths were obtained. The thickness dependence of the electric field critical value that causes antiferroelectric–ferroelectric phase transition was calculated. Under favorable conditions the antiferroelectric phase at first transforms into ferroelectric one and then into paraelectric phase with the decrease of the film thickness. Proposed theoretical consideration explains the experimental results obtained in antiferroelectric PbZrO₃ thin films.     

Composition Dependence of Electrocaloric Effect in (1-x)Pb(Mg1/3Nb2/3)O3-xPbTiO3 Single Crystals

Composition dependence of electrocaloric effect is investigated in (1-x)Pb(Mg_1/3Nb_2/3)O_3-xPbTiO₃ single crystals by using an eighth-order Landau—Devonshire theory. The applied electric field along [001] direction reduces the ferroelectric-ferroelectric phase transition temperatures, but increases the Curie temperatures. The electrocaloric coefficients of tetragonal phase are much larger than that of rhombohedral and monoclinic phase. A negative electrocaloric effect is observed near the M_C-T phase transition in 0.69 Pb(Mg_1/3Nb_2/3)O₃-0.31 PbTiO₃ single crystal. The application of a strong enough electric field results in a high adiabatic temperature change over a broad range of temperature. Therefore, it would be useful to construct a solid state cooling cycle over a broad temperature range for practical applications.     

Effect of Misfit Strain on Pyroelectric Properties of (111) Oriented Pb(Zr1-xTix)O3 Thin Films

Based on the Landau-Dovenshire theory, the thermodynamic potential of (111) oriented films is constructed to investigate the pyroelectric properties of Pb(Zr_1-xTi_x)O₃ thin films. Due to the presence of nonlinear coupling terms resulted from the (111) epitaxy with substrates, the effects of misfit strain and electric field on the phase transitions at room temperature are more complex than that of (001) and (110) oriented films. Pb(Zr_0.5Ti_0.5)O₃ thin films with the Ti composition around the morphotropic phase boundary (MPB) have the giant dielectric and pyroelectric properties. Moreover, Pb(Zr_1-xTi_x)O₃ thin films grown on the tensile substrates which induce the triclinic γ phase have the larger dielectric and pyroelectric properties than that on the compressive substrates. Therefore, the physical properties of (111) oriented Pb(Zr_1-xTi_x)O₃ thin films can be adjusted by choosing the suitable substrates.     

Effect of misfit strain on the electrocaloric effect of polydomain epitaxial ferroelectric thin films

The effect of misfit strain on the electrocaloric effect in polydomain epitaxial BaTiO 3 thin films at room temperature is investigated using the Ginzburg-Landau-Devonshire thermodynamic theory. Numerical calculations indicate that the misfit strain has a large impact on the ferroelectric polarization states and the electrocaloric effect. Most importantly, the electrocaloric effect in the polydomain ca 1 /ca 2 /ca 1 /ca 2 phase is much larger than that in the monodomain c phase and the other polydomain phases. Consequently, a large electrocaloric effect can be obtained by carefully controlling the misfit strain, which may provide potential applications in refrigeration devices.     

外加电场对铁电薄膜相变的影响

采用热力学非线性理论,研究了外加电场对立方基底Pb(Zr_0.3Ti_0.7)O₃(PZT)铁电薄膜相变的影响.通过数值计算,得到了"失配应变-外加电场"相图,及外加电场与极化强度的关系.当外加电场达到186 kV/cm时,能使生长在SrTiO₃ 基底上PZT铁电薄膜从单斜r相转变为c相.在实验上,采用扫描探针显微镜通过对PZT薄膜施加不同的极化电场来研究了它的电畴翻转.从得到的压电响应相图可以看出,绝大多数的电畴是清晰可 关键词： 铁电薄膜 相变 扫描探针显微镜 失配应变     

BiFeO3/Ni81Fe19磁性双层膜中的交换偏置及其热稳定性研究

研究了磁场诱导生长的BiFeO₃/Ni₁₈Fe₁₉磁性双层膜中 的交换偏置及其热稳定性. 结果表明: BiFeO₃/Ni₁₈Fe₁₉双层膜中的交换偏置场H_ex未表现出明显的磁练习效应. 在负饱和磁场等待过程中, BiFeO₃/Ni₁₈Fe₁₉双层膜磁滞回线的前支和后支曲 线都随着在负饱和磁场中等待时间t_sat的增加向正场方向偏移. 交换偏置场H_ex的大小随着等待时间t_sat的增加而减小, 矫顽力H_c基本不变. 交换偏置场H_ex的大小随测量温度T_m的升高变化不明显, 表现出良好的热稳定性; 但矫顽力H_c随T_m的升高而显著减小. 良好的热稳定性应该来源于铁电性和反铁磁性间的共同耦合作用. 关键词： 多铁性 磁性薄膜 交换偏置 热稳定性