EDTA和KCl掺杂对KDP晶体光学质量的影响

通过传统降温法生长了不同EDTA和KCl剂量掺杂的KDP晶体,并观察了晶体的光散射情况,测定了晶体柱区样品的透过率和晶体中Fe、Cr、Cl三种杂质元素的含量,结果表明:低浓度的EDTA(0.01 mol;)和KCl(＜1.5 mol;)掺杂可以提高晶体的透过率,但高浓度掺杂(0.01 mol;EDTA, 2.0 mol; KCl)会导致晶体散射严重,透过率降低,KCl浓度达到2.5 mol;后晶体生长受到抑制,晶体缺陷严重;晶体中铁Fe3+、Cr3+的总含量随着掺杂浓度的增加而减少,晶体中并没有发现Cl元素存在.     

KDP晶体中散射颗粒形成机理的研究

本文在不同掺杂条件下,采用传统降温法生长了KDP晶体,利用超显微和透射电镜对KDP晶体中的散射颗粒进行了观察,在此基础上对其进行了分类.实验结果表明,不同种类散射颗粒的形成源于溶液中杂质与晶体化学键作用力的不同,造成这一结果的根本原因与KDP晶体的结构特性密切相关.     

Fe3+对KDP晶体光学质量的影响

金属离子Fe3+对KDP晶体的生长和光学性质有明显影响.本文在前期研究的基础上[1]系统考察了该杂质离子对KDP晶体光学质量的影响.实验结果表明,三价金属离子Fe3+会降低KDP晶体的透光率,同时对晶体均匀性和光损伤阈值也有明显影响.光损伤阈值降低的主要原因在于杂质诱发缺陷导致的电子崩电离、多光子电离(尤其是双光子电离)等过程的发生.     

典型阴离子杂质对KDP晶体电导特性的影响

针对KDP晶体生长过程中常出现的SO2-4,NO-3和Cl-杂质,采用传统法和快速法掺杂生长了一系列KDP晶体,研究了不同阴离子杂质掺杂对KDP晶体X和Z向的电导率的影响.结果表明,X向的电导率比Z向电导率高;未掺杂时,快速生长的KDP晶体比传统法生长的KDP晶体具有更高的电导率; SO2-4的掺杂增大了晶体在两个方向的电导率,且随着掺杂浓度的增加,晶体的电导率也相应增大;NO-3和Cl-对KDP晶体的电导率影响不大.分析认为,快速生长的KDP晶体具有更高的缺陷浓度,从而增大了晶体的电导率;SO2-4具有与PO3-4结构的相似性,从而能够取代部分PO3-4进入晶格,从而产生H+空位.H+空位的定向移动能增大晶体的电导率.而NO-3和Cl-与PO3-4结构差异较大,很难取代进入PO3-4晶格,因此NO-3和Cl-对KDP晶体的电导率影响不大.     

生长温度对KDP晶体光学性质影响的研究

用降温法在不同的温度下快速生长KDP晶体,并测量其透过光谱、光学均匀性、金属杂质含量和光散射性能.结果表明随着生长温度的提高,KDP晶体的紫外光吸收和光散射点密度明显降低,但均匀性和杂质金属离子含量并无明显变化.     

过饱和度对KDP晶体生长与光学性能的影响研究

在不同过饱和度的溶液中生长了KDP晶体,对生长晶体的透过率,光散射和激光损伤阈值进行了表征.研究了不同过饱和度对KDP晶体生长及光学性能的影响.实验表明:KDP晶体可以在高过饱和度(σ＞3;)溶液中实现快速生长,生长速度可大于10 mm/d;但随着溶液过饱和度的增加,KDP晶体生长溶液的稳定性降低,晶体容易出现包藏、开裂和添晶等缺陷,晶体的光学性能也随之降低.     

高压与掺杂对KDP晶体能带结构的影响

构建了高压条件下KDP晶体的原子结构模型和掺杂有Li+、Na+、Rb+、Cs+、Be2、Mg2+、Ca2+、Cr3+、Co2+、Cu2+、Al3+、La3+等12种阳离子的KDP晶体超级原胞结构模型,采用第一性原理计算了高压下的KDP晶体的能带结构和态密度,研究了替位式掺杂的形成能以及不同掺杂离子对电子结构的影响.结果表明:KDP晶体的带隙宽度随着压强的增加呈线性增长趋势;Co2+、Cu2+、La3+等重金属离子具有较低的掺杂形成能而易于形成替位式掺杂;碱金属离子掺杂后其带隙比二价离子和三价离子替位掺杂情形大得多,且随原子序数增大而增大.文章还依据能带理论构建了材料的电导率和热导率与带隙的关联式,分析讨论了高压和掺杂对KDP晶体热导率和激光损伤的影响.     

L-丝氨酸掺杂KDP晶体的生长与表征

采用溶液降温与旋转籽晶相结合的方法培育出不同浓度L-丝氨酸(L-serine)掺杂的KDP单晶,通过粉末X射线衍射、傅立叶变换红外光谱、UV-Vis光谱及热分析(热重/热差)等方法对生长的KDP晶体进行了表征,较系统的分析了不同浓度L-丝氨酸掺杂对KDP的光学以及热稳定性能的影响.研究结果表明:L-丝氨酸掺杂可以提高KDP的透光强度,随着掺杂浓度的增加KDP晶体的光学透过率趋于恒定;L-丝氨酸掺杂对KDP晶体的热稳定性没有显著影响.     

Ni2+对KDP晶体生长及缺陷影响的研究

采用传统降温方法生长了不同Ni2+掺杂浓度的KDP晶体.实验发现当Ni2+掺杂浓度小于1000 ppm时溶液的稳定性随着掺杂浓度的增加而提高,大于1000 ppm时溶液的稳定性开始下降,但仍高于纯态溶液的稳定性;随着Ni2+浓度的增加KDP晶体柱面的生长死区增加,柱面的生长速度略有下降,但在生长过程中没有观察到晶体的楔化;KDP晶体的XRD分析及缺陷的研究表明Ni2+对晶体的结构影响不明显,但晶体中的缺陷和内应力增加.     

溶液连续过滤快速生长KDP晶体及其品质分析

设计溶液实时连续过滤装置用于降温法快速生长KDP晶体.采用高亮度激光照射分析对比晶体内部的散射点密度,以同步辐射为光源的X射线形貌成像技术探测晶体内部的生长缺陷,并测定晶体三倍频激光(355 nm)的损伤阈值.实验结果显示,溶液连续过滤法生长的KDP晶体中包裹体和位错的密度明显降低,晶体的激光损伤阈值提高了30%.     

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.     

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.     

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.     

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...     

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.     

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.