Fe、Ni共掺杂ZnO薄膜的溶胶-凝胶法制备及性能研究

采用溶胶-凝胶法在玻璃基片上旋涂生长了ZnO、Fe, Ni单掺杂及(Fe,Ni)共掺杂ZnO薄膜.产物的显微照片及XRD图谱结果表明, 该方法所制备的ZnO薄膜表面均匀致密,都存在(002)择优取向,具有六角纤锌矿结构,晶粒尺寸平均在13 nm 左右,振动样品磁强计(VSM)测试结果显示掺杂ZnO薄膜均存在室温铁磁性.光致发光(PL)测量表明所有样品薄膜的PL谱主要由较强的紫外发光峰(394 nm)、蓝光峰(420 nm)、绿光峰(480 nm)组成.Fe、Ni单掺杂和共掺杂并不改变ZnO薄膜的发光峰位置,但掺杂后该紫外发光峰减弱,420 nm处的蓝光峰增强.     

掺Cd对ZnO薄膜光学性能的影响

采用溶胶-凝胶法在石英玻璃上制备了不同掺Cd浓度的ZnO薄膜.X射线衍射(XRD)结果表明,所制备的薄膜具有c抽择优取向,随着Cd掺杂浓度的升高,(002)峰向低角度方向移动.UV透射曲线表明,薄膜具有明显的紫外吸收边,通过改变Cd的掺入浓度,可以使吸收边向长波方向移动并被控制在一定范围内,从而使薄膜的禁带宽度连续可调;薄膜的光致发光(PL)谱显示,ZnO薄膜的PL谱是由紫外激子发光峰和蓝光发光带组成,通过掺入Cd可使紫外带边发射的峰位向低能端方向红移,这与透射谱中吸收带边的红移相吻合,由紫外发光峰得到的光禁带宽度和由透射谱拟合得到的光禁带基本一致.对不同掺杂浓度的薄膜进行了比较,发现Cd掺入量为8;摩尔分数时ZnO薄膜具有最佳的结构性能和发光性能.     

Li掺杂对ZnO薄膜的晶体结构和光学性能的影响

采用溶胶-凝胶法在氧化铟锡(ITO)导电玻璃基底上制备了不同掺杂浓度的Li∶ZnO薄膜,并且利用场发射扫描电子显微镜(FE-SEM)、X射线衍射仪(XRD)、紫外-可见-近红外分光光度计(UV-VIS-NIR)、荧光光谱仪(PL)多种测试手段研究了不同掺锂浓度对ZnO薄膜的结构形貌、晶格常数、禁带宽度以及光致发光的影响。结果显示,Li的掺入导致ZnO薄膜的晶格常数减小,同时禁带宽度也减小。光致发光谱表明,掺Li后的ZnO薄膜的可见光发光峰由绿光发光峰和黄光发光峰组成,并且发生红移。我们认为,黄光发射可能是电子由单电离氧空位VO+到缔合缺陷LiZnVO的跃迁引起的,并且提出了缔合缺陷LiZnVO的结构模型。     

溅射压强对W掺杂ZnO薄膜结构及光学性能的影响

在不同溅射压强下,通过射频(RF)磁控溅射在石英玻璃衬底上沉积得到W掺杂ZnO薄膜(WZO).对样品的结晶性能,表面形貌和光学性能进行测试分析,结果表明:在适当溅射压强下,薄膜具有良好的结晶性和光学性能.随着溅射压强的增加,薄膜的结晶性先变好后变差,晶粒尺寸先增大后减小,在1.0 Pa时薄膜的结晶性最好,且晶粒尺寸最大,约为32 nm;所有WZO薄膜样品的平均透光率超过80;;光致发光主要由本征发光和缺陷引起的蓝光发光组成,在1.0Pa时薄膜还有明显的Zn;缺陷,在1.2Pa时薄膜有明显的Oi缺陷.     

MOCVD法在(220)CaF2衬底上生长ZnO薄膜及其性能研究

采用金属有机化学汽相沉积(MOCVD)法在(220)CaF2衬底上外延生长ZnO薄膜.利用X射线衍射(XRD)、紫外-可见光谱和光致发光谱(PL)对ZnO薄膜的结构和光学性能进行了分析.XRD结果表明,所制备的ZnO薄膜结晶性能良好,具有高度的(002)的择优取向,002衍射峰的半高宽(FMHM)为0.115°.所制备的ZnO薄膜透明,透过率超过85;.在常温的(He-Cd激光器)PL谱中,只有378.5 nm的带边发射.用同步辐射光源测试的真空紫外光谱中,在低温20K时,出现218 nm、368 nm、418 nm、554 nm发光峰,其中368 nm峰强度随着温度的升高强度逐渐下降,到常温时几乎消失.     

Al2O3衬底上生长ZnO薄膜的结构和光学特性

用脉冲激光沉积法在Al2O3(0001)衬底上沉积了ZnO薄膜.衬底温度分别为300℃、400℃、500℃、600℃和700℃.利用X射线衍射(XRD)和光致发光谱(PL)对薄膜的结构和光学性能进行研究.X射线衍射的结果表明在不同温度下生长的ZnO薄膜均具有高度c轴择优取向,衬底温度400℃时,膜的应力较小质量较高.ZnO薄膜有很强的紫外发光峰,紫外发光峰的强度与衬底温度密切相关,并发现当衬底温度从300℃增到400℃时,紫外发射峰出现6nm的蓝移.     

碱金属掺杂ZnO薄膜发光性能研究

采用固相反应法制备了不同比例的碱金属掺杂ZnO靶材,并利用磁控溅射法在Si(111)基片上制备不同温度下生长的c轴择优取向ZnO薄膜.通过XRD、AFM和荧光光谱(PL谱)研究了掺杂元素和掺杂比例对薄膜结构和发光特性的影响.结果表明,掺杂未改变ZnO的结构,薄膜具有很好的c轴择优取向.室温下用325 nm的氙灯作为激发光源得到不同样品的 PL 谱,分析表明,紫外发光峰来源于自由激子的复合辐射与带间跃迁,蓝绿发光峰与锌缺陷和氧缺陷有关.此外还探讨了紫外发光峰红移的可能机理.     

CdS量子点敏化ZnO薄膜的制备及其性能研究

本文以Zn(CH3COO)2·2H2O、CdCl2和硫脲的水溶液分别为前驱体,采用超声喷雾热解法在ITO导电玻璃上成功的制备了CdS量子点敏化ZnO薄膜(ZnO∶ CdS).通过扫描电镜(SEM),X射线衍射(XRD),光致发光(PL)谱和吸收光谱对CdS量子点敏化ZnO薄膜形貌,结构和光学性能进行了研究.SEM图表明CdS量子点已成功沉积到ZnO薄膜上,量子点呈颗粒状,直径约71 nm.XRD结果显示,除观察到原有的ZnO特征峰外,在2θ=30.3°处有一明显的特征峰,对应着CdS的(111)晶面.PL谱图表明在325 nm的光激发下,CdS量子点敏化ZnO薄膜在400 nm处有一较强的紫外发射峰,在500～700 nm处有一个较宽的黄绿发射带.吸收光谱表明,CdS量子点敏化后ZnO薄膜在可见光区的吸收边为586 nm.     

衬底温度对磁控溅射法制备掺Ta氧化锌薄膜性能的影响

采用射频磁控溅射法,在不同的衬底温度下制备了钽(Ta)掺杂的氧化锌(ZnO)薄膜,采用X射线能谱(EDS)、X射线衍射(XRD)、扫描电镜(SEM)、紫外-可见分光光度计和光致发光(PL)光谱研究了衬底温度对制备的Ta掺杂ZnO薄膜的组分、微观结构、形貌和光学特性的影响.EDS的检测结果表明,Ta元素成功掺入到了ZnO薄膜;XRD图谱表明,掺入的Ta杂质是替代式杂质,没有破坏ZnO的六方晶格结构,随着衬底温度的升高,(002)衍射峰的强度先增大后降低,在400℃时达到最大;SEM测试表明当衬底温度较高时(400℃和500℃),Ta掺杂ZnO薄膜的晶粒明显变大;紫外-可见透过光谱显示,在可见光范围,Ta掺杂ZnO薄膜的平均透光率均高于80;,衬底不加热时制备的Ta掺杂ZnO的透光率最高;制备的Ta掺杂ZnO薄膜的禁带宽度范围为3.34~3.37eV,衬底温度为500℃时制备的Ta掺杂ZnO薄膜的禁带宽度最小,为3.34eV.PL光谱表明衬底温度为500℃时制备的Ta掺杂ZnO薄膜中缺陷较多,这也是造成薄膜禁带宽度变小的原因.     

直流反应磁控溅射法制备ZnO: Zr透明导电薄膜

以Zn∶ Zr为靶材,利用直流反应磁控溅射法制备了ZnO∶ Zr透明导电薄薄膜.研究了沉积压强对ZnO∶ Zr薄膜形貌、结构、光学及电学性能的影响.实验结果表明所制备的ZnO∶ Zr为六方纤锌矿结构的多晶薄膜,具有垂直于衬底方向的c轴择优取向.沉积压强对ZnO∶ Zr薄膜的晶化程度、形貌、生长速率和电阻率影响很大,而对其光学性能如透光率、光学带隙及折射率影响不大.当沉积压强为2Pa时,ZnO∶ Zr薄膜的电阻率达到最小值2.0×10-3Ω ·cm,其可见光平均透过率和平均折射率分别为83.2％和1.97.     

Modelling of mechanism of agglomeration of KCl crystallization

The article presents an analysis into agglomeration during KCl vacuum crystallization. The theoretical and experimental investigations into the mechanism of agglomeration during mass crystallization result in an extension of the growth phenomena within the known model equations. The basis for this is essentially constituted by the collision model concepts of the theory of floculation in disperse systems. The parameters derived from the microprocess analysis (energy dissipation, content of solids, growth rate of individual grains) lead to model equations which are confirmed by laboratory and test trials.     

Relationship of Morphological Types of Dynamic Forms of Crystals

Crystallography Reports - The relationship of morphological spectra (sets of data on the morphological types of real polyhedral crystals and their probabilities under current physicochemical...     

Velocities of Disappearance and Lifetime of Faces of Growing Crystals

The formulae for absolute R_disap and relative R velocities of disappearance and lifetime τ of faces of growing crystals have been derived for stationary growth. It was shown that the quantities are determined by the relative growth velocity R_A/R_critA of the vanishing face A with respect to the critical growth velocity R_critA and by the geometry of a crystal expressed by the trigonometric functions of interfacial angles β and γ formed between face A and the adjacent faces. R increases and τ decreases with the increase in R_A/R_critA to certain limiting values. The calculations have been verified and illustrated by the experimental results for triclinic potassium bichromate (KBC) crystals. Results enable ones to predict values of velocities of disappearance and lifetimes of undesirable, supplementary faces of any real crystal.     

Development of Pauling's concepts of geometric characteristics of atoms

The evolution of the geometric characteristics introduced by Pauling and their dependence on the specific features of the structure and chemical bonds have been considered. The values of the covalent and van der Waals radii are given as well as their relationships and mutual transitions.     

Dependence of the parameters of equations of viscous flow on chemical composition of silicate melts

The temperature dependence of viscosity of silicate melts is discussed in the framework of the Avramov–Milchev (AM) equation. The composition is described by means of two parameters: the molar fraction, x, and the “lubricant fraction”, l. The molar fraction is the sum of the molar parts x_i of all oxides dissolved in SiO₂, the molar fraction of the latter being 1 ? x. It is shown that, with sufficient precision, two of the parameters of the AM equation can be presented as unique functions of the molar fraction. On the other hand, x is not sufficient to determine properly the reference temperature T_r , at which viscosity is η_r = 10¹³ [dPa.s]. Therefore, additional parameter, “lubricant fraction” l, is introduced. For each of the components, l_i is a product of molar part x_i and a specific dimensionless coefficient 0 ≤ k_i ≤ 1 accounting for the specific contribution of this component to the increased mobility of the system. It is demonstrated that, for l > 0, the reference temperature is related to the “lubricant fraction” l through the reference temperature T_r,SiO2 of pure SiO₂.     

Comparative analysis of two methods of calculation of the orientation of domain walls in ferroelastics

Two types of domain-wall equations are analyzed: the equations derived by the Sapriel method and the equations obtained by interface matching of the thermal-expansion tensor. It is shown that, for W-type domain walls, these methods yield the same equations. For W′-type domain walls, the equations obtained by different methods coincide for proper ferroelastics and differ for improper ferroelastics.     

A review of measurement of thermophysical properties of silicon melt

Measurements of thermophysical properties of Si melt and supplementary study of X-ray scattering/diffraction by the authors' group were reviewed. The values obtained differed variously from those of literature. Density was 2–3% larger, surface tension 20–30% smaller, viscosity up to 40% larger, electrical conductivity 8% smaller, spectral emissivity more or less in good agreement with literature values, and thermal diffusivity a few percent larger. An anomalous density jump was found near the melting point. Surface tension and viscosity also showed anomaly. A strange time-dependent change of density was observed over 3 h after melting. X-ray analyses suggested a slight change in local atom ordering, but showed no sign of cluster formation. An addition of 0.1 at% gallium caused the density jump to disappear, while that of boron caused no change. An EXAFS study of the former melt indicated a strong interaction between Ga and Si atoms as if molecules of GaSi₃ existed. The implications of the measured properties are a possibility of soft-turbulence in an Si melt in a relatively large crucible, a more complicated manner of intake of oxygen depleted molten Si from the free surface region to underneath the growing crystal, and a relaxation of the melt after melting arising from trapped gas species.     

Generation of crystal structures of heteromolecular compounds by the method of discrete modeling of packings

Within the method of discrete modeling of packings, an algorithm of generation of possible crystal structures of heteromolecular compounds containing two or three molecules in the primitive unit cell, one of which has an arbitrary shape and the other (two others) has a shape close to spherical, is proposed. On the basis of this algorithm, a software package for personal computers is developed. This package has been approved for a number of compounds, investigated previously by X-ray diffraction analysis. The results of generation of structures of five compounds—four organic salts (with one or two spherical anions) and one solvate—are represented.