硅和锗纳米线的原子排布和电荷分布的密度泛函紧束缚方法研究

低维硅锗材料是制备纳米电子器件的重要候选材料，是研发高效率、低能耗和超高速新一代纳米电子器件的基础材料之一，有着潜在的应用价值。采用密度泛函紧束缚方法分别对厚度相同、宽度在0.272 nm~0.554 nm之间的硅纳米线和宽度在0.283 nm~0.567 nm之间的锗纳米线的原子排布和电荷分布进行了计算研究。硅、锗纳米线宽度的改变使原子排布，纳米线的原子间键长和键角发生明显改变。纳米线表层结构的改变对各层内的电荷分布产生重要影响。纳米线中各原子的电荷转移量与该原子在表层内的位置相关。纳米线的尺寸和表层内原子排列结构对体系的稳定性产生重要影响。     

(111)择优取向的Pb(Zr0.52Ti0.48)O3铁电薄膜的制备及研究

选用不同浓度的Pb(Zr_0.52Ti_0.48)O₃溶胶，用Sol-gel法在Pt/Ti/SiO₂/Si基片上沉积一层厚度不同的Pb(Zr_0.52Ti_0.48)O₃ (PZT52)过渡层，经400℃烘烤、550℃退火等程序后，再用Sol-gel法在PZT52过渡层上沉积Pb(Zr_0.52Ti_0.48)O _{关键词： PZT铁电薄膜 择优取向 过渡层 剩余极化强度}     

(Ni0.8Zn0.2Fe2O4)epoxy-PZT双层膜中的磁电效应

讨论了Ni_0.8Zn_0.2Fe₂O₄ (NZFO)与锆钛酸铅(PZT)的双层膜结构样品的磁电(ME)效应.NZFO粉料由溶胶-凝胶法制成，再经900℃热压，并高温烧结.在该双层膜中测量到了很强的磁电相互作用.发现横向的磁电效应比纵向效应大一个数量级，并且随NZFO烧结温度的提高而增加.当烧结温度从950℃上升到1380℃时，横向ME电压系数(α_E)的最大值变化范围为25.6 mV Am^-2≤α_E≤199.6 mV Am^-2.理论分析显示NZFO-PZT双层膜样品中ME效应源于NZFO与PZT之间相对良好的磁电耦合. 关键词： 镍铁氧体 PZT 热压法 ME效应     

On a model of electromagnetic field propagation in ferroelectric media

The Maxwell system in an anisotropic, inhomogeneous medium with non-linear memory effect produced by a Maxwell type system for the polarization is investigated under low regularity assumptions on data and domain. The particular form of memory in the system is motivated by a model for electromagnetic wave propagation in ferromagnetic materials suggested by Greenberg, MacCamy and Coffman [J.M. Greenberg, R.C. MacCamy, C.V. Coffman, On the long-time behavior of ferroelectric systems, Phys. D 134 (1999) 362-383]. To avoid unnecessary regularity requirements the problem is approached as a system of space-time operator equation in the framework of extrapolation spaces (Sobolev lattices), a theoretical framework developed in [R. Picard, Evolution equations as space-time operator equations, Math. Anal. Appl. 173 (2) (1993) 436-458; R. Picard, Evolution equations as operator equations in lattices of Hilbert spaces, Glasnik Mat. 35 (2000) 111-136]. A solution theory for a large class of ferromagnetic materials confined to an arbitrary open set (with suitably generalized boundary conditions) is obtained.     

排列形状及阵列数目对纳米导线阵列场发射性能的影响

为了进一步研究纳米导线阵列的排列形状以及阵列数目对其场发射行为的影响，利用镜像悬浮球模型对正方形以及六边形排列的纳米导线阵列的场发射行为进行计算与模拟，近似的得到纳米导线阵列的场发射增强因子满足如下的变化趋势：β=h/ρ(1/1+W)+1/2(1/1+W)²+3,其中h为纳米导线的高度，ρ为纳米导线的半径，W是以R为自变量的函数，R为纳米导线阵列的间距.结果显示纳米导线阵列的排列形状对其场发射性能的影响较小，而阵列间距则是影响场发射性能的关键因素：当R<R₀时，场发射增强因子随着阵列间距的减小而急剧减小；当R>R₀时，场发射增强因子基本不变，其中R₀为导线阵列场发射的最佳间距.进一步研究表明改变纳米导线阵列的数目基本不会改变阵列的场发射性能随间距的变化趋势，但是随着阵列数目的增加，R₀会有一定程度的减小，场发射增强因子也会降低. 关键词： 纳米导线 场发射 增强因子 阵列数目     

Polarization inscription in ferroelectric (111) PZT and (100) SBT films

Ferroelectric thin films form an equilibrium domain structure compatible with their respective crystallographic symmetry. In tetragonal (111) PZT, 90° domains prevail; in (pseudo-tetragonal) (100) SBT both 90° and 180° domains are present. The size of 90° domains has been measured for e.g., PZT as slabs of 15 nm width. Domain size is a result of stress minimization in the film during the paraelectric (PE) → ferroelectric (FE) transition. A precise and regular domain pattern for (111) PZT and (100) SBT films has been investigated in detail by TMSFM. Single domains can be addressed mechanically with the tip of an AFM. Such single domain switching corresponds to a data storage density of 200 Gbit/inch². Applications of ferroelectric and high- paraelectric materials for e.g., non-volatile data storage replacing DRAM devices or as sensors in infrared cameras are increasingly becoming popular.     

后退火温度对溅射沉积Pb(Zr0.52Ti0.48)O3铁电薄膜结构和性能的影响

在具有Ti缓冲层的Pt(111)底电极上,用射频溅射工艺在较低的衬底温度(370℃)和纯Ar气氛中沉积Pb(Zr0.52Ti0.48)O3(PZT)薄膜,沉积过程中基片架作15°摇摆以提高膜厚的均匀性。然后将样品在大气中进行5min快速热退火处理,退火温度550-680℃。用XRD、SEM分析薄膜的微结构,RT66A标准铁电测试系统测量样品的铁电和介电性能。结果表明,所沉积的Pt为(111)取向,仅当后退火温度高于580℃,沉积在Pt(111)上的PZT薄膜才能形成钙钛矿结构的铁电相,退火温度在580-600℃时结晶为(110)择优取向,退火温度高于600℃时结晶为(111)择优取向。PZT薄膜的极化强度随退火温度的升高而增加,但退火温度超过650℃时漏电流急剧上升,因此退火处理的温度对PZT薄膜的结构和性能有决定性的影响。     

Ag核Au壳双金属复合纳米线的制备及其表面增强拉曼光谱研究

采用氧化铝模板结合交流电沉积技术制备纯银纳米线, 然后通过化学还原方法, 并控制加入的金盐的量, 在已制备好的银线表面包裹不同厚度的金壳层, 得到具有核壳结构的Ag_核Au_壳复合纳米线. 采用电子显微镜(SEM, TEM)和表面增强拉曼光谱对该复合结构纳米线进行相关表征, 纳米线的表面形貌与加入的金盐的量有关. 以苯硫酚(TP)和对巯基苯胺(PATP)为探针分子, 研究了此类复合纳米线的表面增强拉曼散射效应. 并以PATP在金银纳米线表面吸附的表面增强拉曼光谱的差别为探针, 表征了复合纳米线表面金的包裹程度, 结果表明一定厚度的包裹程度可制备无针孔效应的核壳结构金银复合纳米线.     

CdSe纳米线阵列的制备及其表征(英)

通过在含有SeSO₃^2-和Cd²⁺的室温水溶液中，用模板-电沉积法在纳米孔阵列阳极氧化铝膜(AAM)模板中制备了高有序性的CdSe纳米线阵列，并对其形貌、结构和组分进行了表征。扫描电子显微镜(SEM)和透射电子显微镜(TEM)结果表明，纳米线阵列中的CdSe纳米线具有相同的长度和直径，分别对应于使用的AAM模板的厚度和孔径；X-射线衍射(XRD)和X-射线能谱(EDAX)结果表明，CdSe纳米线中Cd和Se的化学组成非常接近于1∶1，其结构为立方CdSe。另外，对模板-电沉积法制备CdSe纳米线的机理进行了讨论。     

Syntheses of TiO2(B) nanowires and TiO2 anatase nanowires by hydrothermal and post-heat treatments

TiO₂(B) nanowires and TiO₂ anatase nanowires were synthesized by the hydrothermal processing in 10 M NaOH aq. at 150 °C followed by the post-heat treatment at 300-800 °C. As-synthesized Na-free titanate nanowires (prepared by the hydrothermal treatment and repeated ion exchanging by HCl (aq.) were transformed into TiO₂(B) structure with maintaining 1-D morphology at 300-500 °C, and further transformed into anatase structure at 600-800 °C with keeping 1-D shape. At 900 °C, they transformed into rod-shaped rutile grains. Microstructure of these 1-D TiO₂ nanomaterials is reported.