原子层沉积Sn掺杂ZnO薄膜结构及光电性能的研究

采用原子层沉积方法以臭氧为氧源,分别在Si和K-9玻璃衬底沉积Sn掺杂ZnO薄膜.系统研究了Sn掺杂浓度对ZnO薄膜成分、晶体结构及光电性能的影响.XRD分析表明:所制备SnZO薄膜具有垂直于衬底表面的c轴择优取向.XPS分析表明:在ZnO中掺杂离子以Sn4+形式存在.Hall分析表明Sn是一种有效的施主掺杂元素,其通过置换Zn2+位置释放导电电子.当Sn掺杂浓度为1.8at;时,Hall测试表明ZnO薄膜具有最低电阻率为9.5×10-4Ω·cm,载流子浓度达到最高值为3.2×1020 cm-3,进一步增加Sn浓度使得ZnO薄膜电学性能变差.SnZO薄膜在可见光区域的光透过率超过85;,光学带隙值由未掺杂ZnO的3.26 eV增加到5.7at; Sn掺杂时3.54 eV.     

Ni2+掺杂氧化锌阵列膜的水热合成及性能表征

采用低温水热法制备了Ni2+掺杂的ZnO阵列膜,研究了Ni2+掺杂对样品形貌、晶相结构和光谱特性的影响,并对可能的影响机理进行探讨.结果表明:Ni2浓度增加不会改变ZnO的纤锌矿结构,但在一定程度上可以起到控制其形貌及均匀度的作用.Ni2+掺杂量x≤0.007 mol/L时,有助于ZnO纳米棒沿c轴方向生长,提高结晶度,但ZnO的生长机理保持不变.Ni2+掺杂量较多时(x ＞0.007 mol/L),ZnO纳米棒的生长习性发生变化,其六方结构被破坏,水热膜由垂直于基片表面排列的纳米棒阵列转变为由结构不规则的多边形晶粒组成的密堆积排列.由于Ni2+固溶入ZnO晶格产生晶格畸变,引起薄膜内应力以及载流子浓度的变化,使得ZnO拉曼光谱的特征峰出现明显的降低和移动.光致发光谱表明,Ni2掺杂使ZnO纳米棒的紫外发光峰强度IUV与绿光发光峰强度IGR之比值IUV/IGR增大.     

In掺杂量对ZnO薄膜微结构和光学性质的影响

采用溶胶-凝胶法分别制备未掺杂和In掺杂ZnO薄膜,用X射线衍射仪、扫描电镜和紫外可见分光光度计测试分析薄膜的微结构、表面形貌和光学性质.结果表明:In掺杂ZnO薄膜仍为六角纤锌矿结构,但In的掺入抑制ZnO薄膜的结晶,使得薄膜的结晶度降低.In掺杂ZnO薄膜表面呈网络状结构,随着In掺杂量的增加,表面起伏程度减小,空隙减少,表面平整,致密度提高.In掺杂ZnO薄膜的光学带宽Eg值均小于未掺杂ZnO薄膜,且随In掺杂量的增加先增大后减小,并用Burstein-Moss效应和缺陷浓度变化对光学带宽变化进行了解释.     

射频磁控溅射法制备Zn1-xMgxO薄膜及其性能的研究

本文通过在ZnO靶材上放置高纯Mg片,运用射频磁控溅射法在普通玻璃衬底上制备了Zn1-xMgxO(x=0.1,0.16,0.18,0.24)薄膜.用X射线衍射仪、扫描电镜、紫外-可见-分光光度计等研究了Zn1-xMgxO薄膜的组织结构和性能.结果表明:Zn1-xMgxO薄膜呈ZnO的纤锌矿结构,在ZnO晶格中Mg2+有效地替代了Zn2+.样品表面比较平整,颗粒均匀致密,薄膜质量较高,且在可见光范围内光透过率均为90;左右,具有极好的透光性;此外,随着Mg掺入量的增多,Zn1-xMgxO薄膜的吸收边出现蓝移现象,实现了对禁带宽度的调节.     

Eu、Mg共掺ZnO薄膜的微观结构与光致发光性能研究

采用射频磁控溅射技术,以不同Eu、Mg掺杂比的ZnO/MgO/Eu2O3陶瓷靶材,制备了Eu、Mg共掺的ZnO薄膜(ZMEO).通过X射线衍射(XRD)、Raman散射及光致发光(PL)技术研究了Eu、Mg掺杂比对ZMEO薄膜微观结构和光致发光性能的影响.结果表明:所制备的ZMEO薄膜皆为六角纤锌矿型结构.适当的Eu、Mg掺杂比不但有利于ZnO晶粒的生长,而且可以引入缺陷俘获导带电子,促进ZnO和Eu3+之间的能量传递,使Eu3+的红光发射强度获得提升.     

Mg掺杂对ZnO薄膜结构与磁性的影响

采用脉冲激光沉积(PLD)方法在单晶Si(100)衬底上制备Zn1-xMgxO薄膜,研究了退火温度和氧压对Zn1-xMgxO薄膜的结构和磁性的影响.结果表明,Mg掺入量影响ZnO结构相变,当x≥0.25时,Zn1-xMgxO薄膜由六角纤锌矿结构变为立方结构,同时磁性增强.随着氧压的增大和后续退火温度的升高,都会使饱和磁化强度(Ms)呈先增大后减小的趋势.分析表明磁性的变化都与样品中的表面缺陷浓度有关.     

Mg掺杂浓度对MgxZn1-xO薄膜结构和光学性能的影响

通过超声喷雾热解工艺在P型<100>Si衬底上制备了不同Mg掺杂浓度的纳米MgxZN1-xO薄膜.通过扫描电镜(SEM)、X射线光电子能谱(XPS)、X射线衍射(XRD)和光致发光(PL)谱的测试对不同Mg掺杂浓度下薄膜的表面形貌、成分、品体结构和光学性能进行了研究.SEM测试结果表明,低Mg掺杂浓度时,MgxZn1-xO表面平整致密,但随Mg浓度的增加,薄膜表而平整度降低.XRD测试结果表明在低浓度下MgxZn1-xO薄膜足ZnO的纤锌矿结构,而没有出现MgO的分相,ZnO的衍射峰峰强随Mg浓度的增加逐渐减弱.不同Mg掺杂浓度下的光致发光谱图均出现了近带边紫外发射峰和可见光发射峰,其中近带边紫外发射峰随掺杂浓度的增大出现了明显的蓝移.     

ZnO: Mn稀磁薄膜结构和铁磁特性分析

采用脉冲激光沉积技术在蓝宝石衬底上制备了不同Mn掺杂浓度的ZnO薄膜(ZnO: Mn),研究了与生长相关的浅缺陷能级对薄膜磁性的作用.结果表明:所制备的ZnO: Mn薄膜均具有高度c轴择优取向,且具有室温铁磁性.随Mn含量增加,薄膜结晶质量逐渐提高,晶粒尺寸明显增大,单位磁性离子磁矩逐渐减小.薄膜所显示出的铁磁性可归结为材料结构缺陷的本质反映.薄膜导电特性变化反映了薄膜生长过程所决定的晶粒内部和晶粒边界缺陷密度变化的竞争,与此对应,激活能的变化反映了晶粒内部费米能级位置先升高而后降低.薄膜的载流子传输在低温下满足变程跳跃电导机制,该机制和材料的铁磁性紧密相关.近邻Mn离子比例的增加将对薄膜铁磁性的减小产生贡献.     

Al-H共掺杂ZnO薄膜的形貌及光致发光性能研究

在不同衬底温度条件下采用RF磁控溅射法在石英玻璃上沉积Al-H共掺杂ZnO薄膜.对所有样品进行晶体结构、表面形貌、电学、光学以及室温光致发光性能分析.结果表明:随着衬底温度的升高,ZnO薄膜的结晶度增加,晶粒增大,薄膜致密度增加;薄膜表面起伏变化减小;同时,电阻率最低达到7.58×10-4Ω·cm,透过率保持在75;左右.所有ZnO薄膜样品都以本征发光为主,Al-H共掺杂在一定程度降低ZnO薄膜缺陷发光的强度;随着衬底温度的升高,ZnO薄膜的本征发光强度明显增大;同时在能量为3.45 eV附近观察到了一个紫外发光峰.     

Sn掺杂对ZnO薄膜结构和光电性能的影响

采用溶胶-凝胶浸渍提拉法在玻璃衬底上制备了Sn掺杂ZnO(SZO)薄膜。通过X射线衍射(XRD)和扫描电镜(SEM)研究了Sn掺杂对薄膜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。SEM结果表明随着掺杂浓度的增加,薄膜表面由颗粒向纳米棒转变。电学结果显示掺杂浓度为3at%时,电学性能最好,最低电阻率为6.9×10-2Ω.cm。室温光致发光谱(PL)显示所有的SZO薄膜样品在(325 nm光激发下)380 nm和398 nm两处都有发光峰,随着掺杂浓度的增大,398 nm处的发光强度先增大后减小,然后再增大;380nm处的发光强度始终增大,这些现象与薄膜的表面结构的变化有关。     

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...     

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.     

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.     

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.     

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.     

Mechanism of spatial ordering of dislocations during plastic deformation of crystals

Mechanisms of spatial ordering of dislocations during plastic deformation of crystals are considered. The system of evolution equations, which take into account the effects of elastic and correlated interactions of screw dislocations, is derived. The study is performed with due regard for the dynamics of spatial fluctuations of the dislocation density.