不同颜色AlN单晶缺陷研究

通过物理气相传输(PVT)法在石墨系统中制备了绿色、无色和琥珀色氮化铝(AlN)单晶,在金属系统中制备了琥珀色AlN单晶.晶体中杂质含量测试结果表明石墨系统中琥珀色的AlN晶体比绿色和无色AlN晶体C、Si杂质含量低1～2个数量级,金属系统中琥珀色AlN晶体杂质含量最低,C、Si、O元素含量均在1018 cm-3级别.AlN晶体的吸收图谱和光致发光图谱的分析结果表明,AlN晶体存在着位于4.7 eV、3.5 eV、2.8 eV、1.85 eV的4个吸收峰,其中4.7 eV和3.5 eV的吸收峰导致了AlN吸收截止边的红移,该吸收峰分别源于碳占氮位(CN)的点缺陷和VAl与O杂质的复合缺陷,2.80 eV的吸收峰导致了AlN晶体的琥珀色,该吸收峰是C元素和O元素共同导致的,1.85 eV的吸收峰导致了AlN晶体的绿色,该吸收峰是Si元素和C元素导致的.     

二价阳离子掺入KDP晶体能力的研究

本文旨在寻找影响杂质阳离子进入KDP晶体能力的因素,我们使用分析纯的KH2PO4和超纯水(电阻率≥18.2MΩ·cm)为原料,分别加入BaCl2·2H2O,CuCl2·2H2O和MgCl2·6H2O,通过降温方式快速生长出KDP晶体.结果表明,cu2+及Mg2+在晶体中的含量基本保持不变,不随其在生长溶液中量的增大而增大,cu2+在晶体中的含量大于Mg2+在晶体中的含量;不同的是,Ba2+在晶体中的含量随着其在生长溶液中量增大而增大.从实验结果我们推断出离子半径和离子水合热是影响二价杂质阳离子在水溶液晶体生长过程中进入KDP晶体能力的重要因素.     

Nd∶YVO4杂质引入途径分析

运用ICP方法分析了一次蒸馏水和二次蒸馏水中的离子含量.应用二次蒸馏水合成钒酸钇原料,并生长出Nd∶YVO4晶体.采用色谱对原料样品和晶体样品中的杂质元素和杂质基团进行分析,发现钒酸钇晶体内部含有VO,YO,NdO,YVO2,YVO3,Y2O2基团,含K、Na、Ca等碱金属和稀土元素.在晶体中含有杂质离子铯和铅.     

KDP晶体杂质对生长及出槽应力分布的影响

KDP晶体中的杂质易导致其开裂.本文采用有限元法分析了不同属性、尺寸、形状的晶体杂质对大尺寸KDP晶体生长及出槽应力分布的影响.结果表明,不同属性的杂质对晶体生长应力和出槽应力分布具有不同程度的影响.杂质附近的生长应力与杂质的弹性模量呈正向变化;杂质附近的出槽应力与杂质和晶体的热膨胀系数之差呈正向变化;杂质的尺寸越大,形状越尖锐,杂质附近的生长应力和出槽应力均增大.     

掺杂CLBO晶体的生长及性能研究

本文采用顶部籽晶泡生法进行掺杂CLBO晶体的生长及性能研究.分别掺入稀土离子Nd3+、Ce3+、Eu3+,均生长出透明晶体.通过测量掺杂CLBO晶体的荧光谱和定量分析晶体中杂质含量,证实这些杂质确实已掺入CLBO晶体中. 对掺杂晶体进行了吸潮特性和倍频效应的研究,发现掺杂CLBO晶体的吸潮性能有很大的改善,激光倍频转换效率仍然很高.     

碳纳米管/钴铁氧体复合材料的吸波性能及其优化

采用柠檬酸络合物形成的溶胶凝胶制备了钴铁氧体(CoFe2O4),并将所得铁氧体与碳纳米管混合均匀,得到不同碳纳米管质量分数的复合吸波材料.利用微波矢量网络分析仪测量的电磁参数,研究了不同碳纳米管质量分数的复合材料的吸波性能及其优化.结果表明,碳纳米管含量对涂层的吸波性能影响相当明显,当碳纳米管的质量分数为20;时,厚度仅为1mm的涂层,最大峰值就能达到-19.2 dB,小于-10 dB的有效带宽达3.1 GHz;基于.微波介电损耗机理,研究了2～ 18 GHz范围内,涂层的电损耗功率密度,发现在厚度较薄的涂层中,碳纳米管质量分数为20;时,涂层的吸波性能最佳.     

钒酸钇晶体中的颜色问题

本文以YVO4晶体生长过程中的V2O5挥发量与YVO4晶体颜色的关系为线索,研究了YVO4晶体颜色与YVO4晶体缺陷、光吸收特性的关系;结果表明晶体中的化学配比变量x影响了YV1-xO4-5x/2晶体颜色.x越大,V的含量越低,则晶体的颜色越浅,但与此同时因组分偏离化学配比而带来的晶体缺陷增多.所以不能无原则地减弱晶体颜色.适宜的x值为0～0.03.     

Fe2O3含量对SiO2-Al2O3-MgO-F系微晶玻璃析晶特征的影响

为研究Fe2O3含量对SiO2-Al2O3-MgO-F系微晶玻璃析晶特征的影响,采用高温熔融法制备不同Fe2O3含量的基础玻璃,利用差示扫描量热仪(DSC)、x射线衍射(XRD)及扫描电子显微镜(SEM)分别研究此基础玻璃的热效应、相组成及组织形貌.结果表明:在不同Fe2O3含量的样品中析出的晶相主要有云母、ZrO2莫来石及柱晶石,Fe2O3含量超过0.5;时莫来石相消失.随着Fe2O3含量的增加,云母的析出量逐渐提高,且晶体尺寸逐渐变大.但是当样品中Fe2O3含量超过0.8;时,云母晶体析出量反而减少且晶体尺寸变小.     

钨酸铅晶体中痕量杂质元素的分布特征及其对晶体性能的影响

利用GDMS分别测试了用Bridgman方法生长的十个全尺寸钨酸铅晶体顶、底两端的杂质含量,发现在PWO晶体中,K、Na、Mo、As、Y等杂质元素富集于晶体的顶部,具有分凝系数小于1 的特征.Ca和Ba杂质则富集于晶体的底部,具有分凝系数大于1 的特征,Al、Si、Cu等杂质的分布缺乏明显的规律性.这些杂质主要来源于生长晶体时所使用的WO3原料.根据掺杂实验,认为K、Na、Mo、As等是影响PWO闪烁性能的有害杂质,Ca和Ba是无害杂质,Y是有益杂质,Al、Si、Cu等杂质的行为尚不明确.     

熔盐法制备片状Bi2.5Na3.5Nb5O18晶体

以分析纯Bi2O3、Na2CO3和Nb2O5为原料,以NaCl为熔盐,采用熔盐法合成出片状Bi2.5Na3.5Nb5O18(简称BNN5)晶体.研究了合成温度、保温时间和熔盐含量对BNN5晶体形貌的影响.结果表明:随着合成温度的提高、保温时间的延长和熔盐含量的增加,BNN5粉体的尺寸逐渐增大.当熔盐与总反应物的质量比为1:1,在1100 ℃下保温3 h时,可以制备出片状的BNN5晶体,其边长为12～24 μm,厚度为0.5～2 μm,有望成为外延生长<001> NaNbO3片状晶体的理想模板.     

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.     

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...     

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.     

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.     

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.     

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.