掺锰氧化锌的结构和光学特性

采用直流反应磁控溅射的方法,在玻璃衬底上沉积了Zn0.93Mn0.07O薄膜,研究了氧分压对薄膜结构和光学特性的影响。X射线衍射测试结果显示,Zn0.93Mn0.07O薄膜都具有高度的c轴择优取向,在氧分压为0.4的时候,薄膜的衍射峰具有最小的半峰全宽,最大的晶粒尺寸。X射线光电子能谱测试结果表明:Mn2 离子已经取代了氧化锌晶格中的部分Zn2 ,但还掺杂有少量的MnO2分子;处在1 021 eV的Zn 2p3/2能级只有单一的Zn2 ;而O2 -则来自Zn-O和Mn-O。由于伯斯坦-莫斯效应,Zn0.93Mn0.07O薄膜光吸收跃迁过程只能在价带态和费密能级附近及以上的导带空态之间发生,其吸收谱线显示,与纯ZnO薄膜吸收谱线相比,产生了蓝移现象。同时还伴随有导带尾跃迁的发生,研究表明,这是由3d5多重能级的d-d跃迁而引起的。经过计算,在氧分压为0.4的时,Zn0.93Mn0.07O薄膜的禁带宽度是最大的,这可能是由交换作用的减弱而引起的。     

射频磁控溅射ZnO薄膜的结构和光学特性

采用射频（RF）反应磁控溅射法在n-Si(001)衬底上外延生长ZnO薄膜。XRD谱测量显示出较强的（002）衍射峰，表明ZnO薄膜为c轴择优取向生长的。室温PL谱测量观察到了较强的紫外光发射和深能级发射。     

ZnO纳米球的溶剂热合成及其结构和光学性质

针对目前采用溶剂热方法制备的ZnO纳米球尺寸比较大,而模板法制备技术又比较复杂的缺点,用六甲基次胺(HDA)作为辅助试剂,采用溶剂热法制备出了小尺寸的ZnO纳米球。本方法不采任何模板,制备过程简单易操作,重复性好。在场发射电子显微镜下可清楚地看到所制得纳米球尺寸分布比较均匀,每一个纳米球都是由许多粒径在20~30nm的小球共同组成的。X射线衍射结果表明所得产物均为六角纤锌矿结构的ZnO。用谢乐公式算得的粒子尺寸在5~11nm,而且随着制备时间的延长和制备温度的升高,ZnO激子吸收峰发生红移,显示出明显的量子限制效应,这表明那些小球可能是由尺寸更小的ZnO纳米粒子所组成。光致发光谱中紫外发射与可见发射的强度比随着制备时间的延长和制备温度的升高而大,表明ZnO纳米粒子的尺寸增大,结晶性变好。     

InP/SiO_2纳米复合膜的微观结构和光学性质

应用射频磁控共溅射方法在石英玻璃和抛光硅片上制备了InP SiO2 复合薄膜 ,并在几种条件下对这些薄膜进行退火 .X射线光电子能谱和卢瑟福背散射实验结果表明 ,复合薄膜中InP和SiO2 的化学组分都大体上符合化学计量配比 .X射线衍射和激光喇曼谱实验结果都证实了复合薄膜中形成了InP纳米晶粒 .磷气氛保护下的高温(5 2 0℃ )退火可以消除复合薄膜中残存的In和In2 O3 并得到了纯InP SiO2 纳米复合薄膜 .实验观察到了室温下纳米复合薄膜的明显的光学吸收边蓝移现象和光学非线性的极大增强     

Sc掺杂ZnO的电子结构和光学性质的影响

本文采用基于第一性原理的密度泛函理论（DFT）平面波超软赝势方法，研究了Sc掺杂ZnO体系的晶体结构、电子结构和光学性质。在对Sc掺杂结构优化的基础上对其进行了数值模拟计算，结果表明：随着Sc原子的掺入，体系的晶格常数稍微变大，键长变长，体积变大，系统总能增大，费米能级进入导带，体系逐渐呈金属性，带隙变宽且随着掺杂浓度增大而增大。另一方面，掺杂后ZnO的光学性质也发生了一定变化，ZnO吸收谱中出现了新的吸收峰，吸收边蓝移，同时介电函数虚部也出现了新的波峰。     

Sc掺杂ZnO的电子结构和光学性质的影响

本文采用基于第一性原理的密度泛函理论(DFT)平面波超软赝势方法,研究了Sc掺杂ZnO体系的晶体结构、电子结构和光学性质.在对sc掺杂结构优化的基础上对其进行了数值模拟计算,结果表明:随着Sc原子的掺入,体系的晶格常数稍微变大,键长变长,体积变大,系统总能增大,费米能级进入导带,体系逐渐呈金属性,带隙变宽且随着掺杂浓度...     

Fe掺杂ZnO纳米球的光学特性

采用微乳液法制备了Fe掺杂ZnO纳米球材料(Zn1-xFexO,x=0.1),利用XRD和TEM对制备样品的结构、形貌进行了表征。在室温下,测得材料宽化的吸收光谱。用325nm的激光激发,测量了ZnO纳米球的光致发光光谱,低强度激发时观察到半峰全宽较窄、峰值波长为385nm的紫光峰和半峰全宽较宽、峰值波长约625nm的深能级发光峰;两峰的发光强度和峰位随着激发光功率密度的变化而变化,但变化规律不同。所合成材料的吸收和发光性质与Fe掺杂相关。     

花状的氧化锌纳米结构的制备及其光学性能

以氢氧化钠和六水合硝酸锌为反应物,在未使用任何表面活性剂的简单反应体系中制得了玫瑰花状ZnO纳米结构,采用X射线衍射(XRD)、扫描电子显微镜(SEM)和室温荧光光谱对产物的晶体结构、形貌和发光性质进行了表征和分析.测试结果表明,所得产物为六方纤锌矿结构ZnO纳米材料,产物结晶完整,尺寸较均匀.这种简单水热法制备的ZnO纳米材料仅在384nm处具有一个较强的紫外发光峰,而在黄绿区几乎没有发光峰,进一步证明了所得样品结晶良好,没有缺陷和空位.以上结果表明所制备的氧化锌纳米材料具有优异的紫外光发射能力.     

InP/SiO2纳米复合膜的微观结构和光学性质

应用射频磁控共溅射方法在石英玻璃和抛光硅片上制备了InP/SiO₂复合薄膜,并在几种条件下对这些薄膜进行退火.X射线光电子能谱和卢瑟福背散射实验结果表明,复合薄膜中InP和SiO₂的化学组分都大体上符合化学计量配比.X射线衍射和激光喇曼谱实验结果都证实了复合薄膜中形成了InP纳米晶粒.磷气氛保护下的高温(520℃)退火可以消除复合薄膜中残存的In和In₂O₃并得到了纯InP/SiO₂纳米复合薄膜.实验观察到了室温下纳米复合薄膜的明显的光学吸收边蓝移现象和光学非线性的极大增强 关键词： InP 纳米晶粒 微观结构 光学性质     

过渡金属掺杂ZnO的电子结构和光学性质

利用基于密度泛涵理论的超软赝势法(USPP)，结合局域密度近似(LDA)，对过渡族金属离子掺杂的纤锌矿型ZnO做第一性原理计算，得到了它的平衡晶格常数、结合能、电子态密度分布、能带结构、介电函数、光学吸收系数等性质，详细讨论了掺杂后ZnO化合物的电子结构及成键情况，并结合实验结果定性分析了掺杂后光学性质的变化. 关键词： 氧化锌 掺杂 第一性原理 光学性质     

Engineering of electronic and optical properties of ZnO thin films via Cu doping

ZnO thin films doped with different Cu concentrations are fabricated by reactive magnetron sputtering technique. XRD analysis indicates that the crystal quality of the ZnO:Cu film can be enhanced by a moderate level of Cu-doping in the sputtering process. The results of XPS spectra of zinc, oxygen, and copper elements show that Cu-doping has an evident and complicated effect on the chemical state of oxygen, but little effect on those of zinc and copper. Interestingly, further investigation of the optical properties of ZnO:Cu samples shows that the transmittance spectra exhibit both red shift and blue shift with the increase of Cu doping, in contrast to the simple monotonic behavior of the Burstein–Moss effect. Analysis reveals that this is due to the competition between oxygen vacancies and intrinsic and surface states of oxygen in the sample. Our result may suggest an effective way of tuning the bandgap of ZnO samples.     

紫外光表面处理对ZnO纳米粒子的晶体结构与光学性质的影响

利用溶胶凝胶法制备了ZnO纳米粒子,用紫外光照射对其进行表面处理。探讨了表面处理对ZnO纳米粒子晶体结构与光学性质的影响。结果显示：在晶体结构方面,紫外光照射会降低ZnO纳米粒子的团聚现象,缩短晶格常数,使其所受应力由压缩应力释放变为伸张应力,增大表面能,为使能量最佳化并稳定而导致ZnO纳米粒子形成再构。在光学性质方面,紫外光照射会使ZnO纳米粒子表面产生较多的氧空位,而氧空位又会使其表面容易吸附羟基,使得ZnO纳米粒子变得更加亲水。     

紫外光表面处理对ZnO纳米粒子的晶体结构与光学性质的影响

利用溶胶凝胶法制备了ZnO纳米粒子,用紫外光照射对其进行表面处理.探讨了表面处理对ZnO纳米粒子晶体结构与光学性质的影响.结果显示:在晶体结构方面,紫外光照射会降低ZnO纳米粒子的团聚现象,缩短晶格常数,使其所受应力由压缩应力释放变为伸张应力,增大表面能,使能量最佳化并稳定而导致ZnO纳米粒子形成再构.在光学性质方面,紫外光照射会使ZnO纳米粒子表面产生较多的氧空位,而氧空位又会使其表面容易吸附羟基,使得ZnO纳米粒子变得更加亲水.     

Co,Sn共掺ZnO薄膜结构与光致发光的研究

采用溶胶-凝胶旋涂法在玻璃衬底上制备了Co,Sn掺杂ZnO系列薄膜.通过金相显微镜和X射线衍射(XRD)研究了Co与Sn掺杂对薄膜的表面形貌和微结构的影响.XRD结果表明,所有ZnO薄膜样品都存在(002)择优取向,特别Sn单掺ZnO薄膜的c轴择优取向最为显著,而且晶粒尺寸最大.XPS测试表明样品中Co和Sn的价态分别为2+和4+,证实Co²⁺,Sn⁴⁺进入了ZnO的晶格.室温光致发光谱(PL)显示在所有的样品中都有较强的蓝光双峰发射和较弱的绿光发 关键词： ZnO薄膜 溶胶-凝胶 掺杂 光致发光     

硼(氮、氟)掺杂对TiO2纳米颗粒光学性能的影响

利用X射线衍射谱、拉曼光谱和紫外-可见光吸收光谱研究了硼(氮、氟)掺杂对TiO₂纳米颗粒光学性能的影响.X射线衍射谱和拉曼光谱结果表明,掺硼(氮、氟)对TiO₂纳米颗粒的锐钛矿相晶体结构无明显影响,而其锐钛矿晶格出现畸变(c/a值增大),这被归因于掺杂原子对TiO₂纳米颗粒表面氧原子缺位沿晶格c轴方向的占据.另外,掺硼(氮、氟)TiO₂纳米颗粒吸收带红移与TiO相似文献   

退火温度对Cr掺杂ZnO薄膜的微结构与机械性能的影响研究

本研究利用射频磁控溅镀法在玻璃基板上制备3 at.%的Cr掺杂ZnO薄膜,再以300℃～500℃温度退火处理25 mins,并探讨了退火温度对Al掺杂ZnO薄膜的微观结构与机械性能的影响.微观结构分析结果表明Cr掺杂ZnO薄膜的结晶方向为(002),且沿(002)方向的成长随退火温度升高而越加明显,但薄膜的表面却随退火温度升高而变得越来越粗糙.机械性能分析结果揭示晶粒尺寸随退火温度升高而增大,导致差排原子的动能随之降低,致使Cr掺杂ZnO薄膜的硬度随退火温度升高而增大,但对其对杨氏模量却没有太大的影响;此外,Cr掺杂ZnO薄膜的耐磨性与韧性均随退火温度升高而增强,表明退火处理对该薄膜的抗塑性形变能力有很大帮助.     

V高掺杂ZnO最小光学带隙和吸收光谱的第一性原理研究

对于V高掺杂ZnO,当摩尔分数为0.0417—0.0625时,随着掺杂量的增加,吸收光谱出现蓝移减弱和蓝移增强两种不同实验结果均有文献报道.采用密度泛函理论的第一性原理平面波超软赝势方法,构建未掺杂ZnO单胞模型、V高掺杂Zn1-xVxO(x=0.0417,0.0625)两种超胞模型,采用GGA+U方法计算掺杂前后体系的形成能、态密度、分波态密度、磁性和吸收光谱.结果表明,当V的掺杂量(原子含量)为2.083%—3.125%时,随着V掺杂量增加,掺杂体系磁矩增大,磁性增强,并且掺杂体系体积增加,总能量下降,形成能减小,掺杂体系更稳定,同时,掺杂ZnO体系的最小光学带隙增宽,吸收带边向低能级方向移动.上述计算结果与实验结果一致.     

Structural and optical properties of cobalt doped ZnO nanocrystals

Zn_1−xCo_xO nanocrystals with nominal Co doping concentrations of x = 0–0.1 were synthesized through a simple solution route followed by a calcining process. The doping effects on the structural, morphological and optical properties were investigated by means of X-ray diffraction, scanning electron microscopy, transmission electron microscopy, Raman, absorption and luminescence spectroscopy. The results indicated that a small amount of Co ions were incorporated into ZnO lattice structure, whereas the secondary phase of Co₃O₄ was segregated and precipitated at high Co doping concentrations, the solid solubility of Co ions in ZnO nanocrystals could be lower than 0.05. The spectra related to transitions within the tetrahedral Co²⁺ ions in the ZnO host crystal were observed in absorption and luminescence spectra.     

Effect of cobalt substitution on microstructure and magnetic properties in ZnO nanoparticles

Ferromagentic semiconductors have been actively pursued because of their potential as spin polarized carrier sources and easy integration into semiconductor technology. One such material, ZnO has been shown to be a potential Diluted Magnetic Semiconductor (DMS). The appearance of ferromagnetism, however, is found to be sensitive to the processing conditions. We report synthesis of ZnO nanoparticles of size ∼20 nm by a simple co-precipitation technique using metal nitrates and NaOH as precipitant. The particles are self-organised and reveal single crystalline behaviour in electron diffraction pattern. Incorporation of Co in ZnO matrix leads not only to the reduction in crystallite size but also to the modification of the structure. At 5% Co, the particles are highly textured. The particles also aggregate and the aggregated mass have nearly rectangular shape as seen through TEM. Increasing Co to 10%, results into further reduction of particle size and the particles self organize in a line, which looks like nanofibers. This alignment of particles increases by increasing the Co content further. This type of growth of nanofibers above Co ≥ 10% is well correlated with the anisotropic peak broadening observed in the XRD spectra. In addition, Co substitute Zn site up to 20% without showing any extra phase in XRD spectra as compared to 7 to 10% in case of bulk. Transport and magnetic studies indicate that conductivity increases with increasing Co content, but carrier mediated ferromagnetism is absent down to 10 K.      

ZnO nanoparticles obtained by mechanochemical technique and the optical properties

Crystalline ZnO nanoparticles were synthesized by mechanochemical method. Mechanochemical processing involves the mechanical activation of solid-state displacement reactions at low temperatures in a ball mill. Statistical design was used to investigate the effect of main parameters (i.e. time, milling rate and calcination temperature) on ZnO crystallite size and morphology. After annealing at 400 °C in air, zinc oxide (ZnO) nanoparticles were obtained. The milled powders are analyzed by X-ray diffraction (XRD), TG/DTA and transmission electron microscope (TEM).The crystallite size of ZnO samples calculated from XRD is consistent with the TEM images and estimated to be less than 20 nm. The optical properties of the samples were studied by UV-vis spectrophotometer.