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.     

退火温度对6H-SiC衬底上ZnO薄膜发光性质的影响

采用溶胶-凝胶方法,在6H-SiC衬底上制备ZnO薄膜.X射线衍射结果表明薄膜是c轴取向的,具有六方纤锌矿多晶结构.研究了退火温度对ZnO薄膜发光特性的影响.发现在650℃退火温度下,观察到近带边紫外发射和可见光发射并且紫外发光强度大于可见光发射.随着退火温度的提高,紫外峰强度减弱直至消失,而绿光发射强度先增加而后降低.对退火温度引起ZnO薄膜发光性质改变的机制进行了探讨.     

在钛酸锶衬底上外延生长ZnO薄膜及其性能研究

用脉冲激光淀积法(PLD)在(111)面SrTiO3衬底上外延生长ZnO单晶薄膜.样品分别在衬底温度为350℃、500℃、600℃下外延生长.X射线衍射(XRD)的结果表明,所得的ZnO单晶薄膜结晶性能好,只出现(002)和(004)两个衍射峰,(002)峰的半高宽度(FWHM)为0.23°.在荧光光谱中我们只观察到来源于带边激子跃迁的强UV发射,并且随着生长温度的升高,紫外峰的强度逐渐增强.样品的SEM图像表明所得ZnO薄膜表面平整,晶粒均匀.衬底温度为600℃时,所得到的ZnO薄膜结构完整,晶粒尺寸最大,均匀;而且紫外发射最强.     

金属有机物气相外延生长InAlGaN薄膜及其性能表征

在不同的生长温度和载气的条件下,采用低压金属有机物气相外延方法生长了系列的InAlGaN薄膜,通过能量色散谱(EDS),高分辨X射线衍射(HRXRD)和光致发光谱(PL)对样品进行表征与分析,研究了生长工艺对InAlGaN外延层结构和光学性能的影响.发现当以氮气做载气时,样品的发光很弱并且在550nm附近存在一个很宽的深能级发光峰;当采用氮气和氢气的混合气做载气时,样品中的深能级发光峰消失且发光强度明显提高.以混合气做载气,InAlGaN薄膜中铟的组分随生长温度的升高而降低,而薄膜的结构和光学性能却提高.结合PL和HRXRD的测试结果得到了较佳的生长参数:即载气为氢气和氮气的混合气以及生长温度在850℃到870℃.     

MgZnO/ZnO异质结构的发光性质研究

本文利用等离子体辅助分子束外延(P-MBE)技术在蓝宝石 (Al2O3) 衬底上生长了Mg0.12Zn0.88O(100nm)/ZnO (20nm) /Mg0.12Zn0.88O (40nm) 异质结构,测得样品的X射线衍射谱表明,在34.56°的位置出现很强的(002)方向衍射峰,其半高宽度为0.20°,比Mg0.12Zn0.88O合金薄膜的半高宽度0.15°明显展宽.通过光致发光谱研究了MgZnO/ZnO/MgZnO异质结构的光学性质,室温下测得在370nm(3.35eV)位置有很强的紫外发光,而在348nm (3.56eV)的位置处有一个较弱的发光,这两个峰分别被归结于来自ZnO层和MgZnO盖层的发光.室温下的吸收光谱中,在上述两个峰的位置附近分别存在很明显的吸收,指示了带边吸收来自于MgZnO和ZnO两种材料.通过变温发光谱研究了异质结构中载流子弛豫、复合的规律.随着温度增加,来自于ZnO层和MgZnO层的发光强度比增加,这归结为MgZnO/ZnO异质结构存在界面势垒所致.     

退火对Si(111)衬底上ZnO薄膜的结构和发光特性的影响

采用磁控溅射法在硅(111)衬底上制备了C轴高度取向的ZnO薄膜,并研究了退火温度和氧气气氛对ZnO薄膜晶体质量、晶粒度大小和光致发光谱的影响.X射线衍射表明,所有薄膜均为高度C轴择优取向,当退火温度低于900℃时,随着退火温度的升高,薄膜的取向性和结晶度都明显提高.室温下对ZnO薄膜进行了光谱分析,退火后的样品均可观测到明显的紫光发射.在一定的退火温度范围内,还可以观测到明显的紫外双峰.空气中退火的样品,当退火温度达到或高于600℃还可观测到绿光发射.实验结果表明,发光峰强度随退火温度和氧气气氛不同而不同,通过改变退火时的温度和氧气气氛可以改变ZnO薄膜的微结构和发光性质.     

氮气压强对PLD制备ZnO薄膜形貌及光电性能的影响

研究了氮气压强对脉冲激光沉积(PLD)法制备ZnO薄膜形貌及光电学性能的影响.结果表明,当氮气压强较低时,ZnO薄膜是由尺寸为50 nm的薄片组成;当氮气压强增加后,ZnO薄膜变成多孔状,并且组成ZnO薄膜的颗粒尺寸逐渐减小.在氮气压强为20 Pa以上时,所制备的ZnO薄膜的光致荧光(PL)光谱是由380 nm的带边发光峰和520 nm的缺陷发光峰组成;当氮气压强较低时(5 Pa和2 Pa),ZnO薄膜的PL光谱只有一个位于400 nm或41O nm处的发光峰.电学方而,2Pa和5 Pa氮气压强下制备的ZnO薄膜的电阻率约为氮气压强为20 Pa和50 Pa下制备样品的104和105倍.研究表明,当氮气压强较低时,Zn离子和O离子具有较大平均自由程和较大平均动能,因此易使N2离子化,可以使部分N离子掺入ZnO晶格中.当氮气压强较高时,Zn离子和O离子平均动能较小,不易使N2离子化,氮难于掺入ZnO晶格中.     

水热蒸汽法制备ZnO纳米棒的研究

采用新发展的水热蒸汽法,通过乙二胺蒸汽制备了高长径比的ZnO纳米棒.采用XRD、SEM、PL谱和拉曼光谱对产物进行了表征.结果表明ZnO纳米棒为六方柱形结构,纳米棒整体排列整齐,高度有序.ZnO纳米棒具有高度的取向性,沿c轴择优生长,大部分的ZnO纳米棒都垂直于基底.ZnO纳米棒在385 nm有一个本征发光峰,在433 nm、481 nm、520 nm之间有明显的缺陷发光峰,可能是由于氧空位和锌空位引起的.在生长温度为150℃的时候,450 ～ 550 nm之间发光峰强度远大于其他温度,可能是温度太高,生长速度太快,缺陷相对较多.ZnO纳米棒在437.61 cm-处特征峰明显,其峰值较高,结晶度较好,由于衬底存在微小的晶格失配,所以存在压应力.在120℃的生长温度,生长时间为12 h下,制备出的ZnO纳米棒长度为24 μm,直径为180 nm,长径比达到130:1.     

基于直流磁控溅射室温制备ZnO薄膜研究

采用直流磁控溅射法在P型<100>晶向单晶硅衬底上室温制备ZnO薄膜,对室温制备的ZnO薄膜分别在500℃、600℃、700℃进行高温退火,通过采用X射线衍射(XRD)、拉曼光谱和场发射扫描电子显微镜(SEM)、HP4145B型半导体参数测试仪分析不同退火温度对室温生长ZnO薄膜微结构、表面形貌和,Ⅰ-Ⅴ特性影响.实验结果表明,室温生长的ZnO薄膜为非晶态,随退火温度增加,ZnO薄膜出现(002)、(100)、(101)晶面衍射峰且逐渐增强,晶粒大小相对增加,在700℃退火后,呈高度c轴择优取向,晶粒间界明显,拉曼光谱E2模增强.     

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.     

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...     

A SAXS study of kinetics of aggregation of silica sols

SAXS in situ experiments on the evolution of TMOS solutions during hydrolysis and polycondensation lead to power laws with scaling exponents ≈ 2. It is suggested that this could be the result of the polydispersity of the samples and that only an apparent fractal dimension can be obtained in this way. Kinetic studies tend to indicate that agglomeration in the sol is the result of a diffusion-controlled process.     

Study of the possibility of interactive control of the surface profile of X-ray optical elements

We investigate the possibility of controlling the curvature parameters of parabolic mirrors that are modular elements of two types consisting of a base and thin inserts placed at the opposite side of the work surface. In the first type of modular elements, bending is controlled by the difference in the coefficients of the thermal expansion of the base and inserts. In the second type of elements, the profile is changed by the piezoelectric straining of the inserts under an electric field. A correlation is established between the parameters of modular elements and their surface curvature profile.     

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.     

Mechanism of thermal expansion of structural modifications of zinc pyrovanadate

Crystal chemical characteristics of the α and β modifications of Zn₂V₂O₇ are calculated based on in situ high-temperature X-ray measurements. The expansion of the structure is found to be strongly anisotropic up to the negative volumetric thermal expansion of the α-Zn₂V₂O₇ unit cell in the temperature range of 300–600°С, α _V =–17.94 × 10^–6 1/K. The transformations of the “hard” and “soft” sublattices with an increase temperature and at the phase transition are considered in detail. It is shown that the negative volumetric thermal expansion of α-Zn₂V₂O₇ is due to the degeneracy of the zigzag-like shape of zinc–oxygen columns at constant distances between their vertices.     

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.     

Investigation of the Mechanism of Influence of Stress Corrosion on the Development of Macroplastic Instabilities of Aluminum–Magnesium Alloy

Crystallography Reports - Macroscopic jumps of plastic deformation (few percent in amplitude) on creep curves of aluminum–magnesium alloy, caused by a local effect of concentrated solution of...