Peculiarities of the diffraction contrast in plane-wave X-ray topographs of weakly deformed crystals in the bragg geometry

The regularities of the topographic contrast formation in weakly deformed nonabsorbing crystals in the Bragg geometry for the diffraction of a plane X-ray wave have been investigated by the method of Riemann functions. It is shown that in this case the extinction contrast has an interference character, alternates, and is proportional to the strain gradient rather than to the squared strain (like in the case of strong lattice distortions). The data of the analysis are compared with the results of a model numerical experiment. The possibility of implementing an X-ray-acoustic resonance in the Bragg geometry is shown.     

The cracking of Czochralski-grown crystals

Crystals of brittle materials are easily cracked during manufacture and processing. This paper examines the thermal strains existing in crystals during and after pulling and the strains which can be built-in by the facet effect. It is shown that during the growth of a crystal with a radius R, there is a maximum acceptable axial gradient roughly proportional to R^?1.5 and that to prevent cracking after growth there is a maximum rate of cooling proportional to R^?2. Results obtained with bismuth silicon oxide for which all the relevant parameters (breaking strain, expansion coefficient, thermal diffusivity and cooling constant) have been measured are in accord with these relations at least for 4 <R<23 mm. The analysis seems valid for other materials (e.g. lithium niobate) with small breaking strains and negligible plastic ranges. For bismuth silicon oxide, (110) and (100) facets have lattice constants larger than the bulk of the crystal by about 4 and 6 parts in 10⁵ respectively. The edges of these facets are thus regions which are strained by amounts corresponding to 20 or 30% of the breaking strain. Under normal growth conditions, this strain is not particularly significant, but it does affect post-growth handling and during rapid growth, interface instabilities develop first at the facet edges.     

Growth of Bi–Sb Gradient Crystals for X-ray Monochromators by means of the Gradient Projection Method

Crystals with a well defined slope of composition have been grown by the Gradient Projection Method (GPM). In the system Bi–Sb gradient crystals with a lattice parameter gradient of Δa /Δa/dz = 0.835%/cm and Δc/c /dz = 0.79%/cm have been obtained. The concentration profiles of the grown crystals with large single crystalline parts exhibit a linear distribution. The adjustment of the dissolving rate allows to control the growth velocity and thus the quality of the grown crystals is increased.     

Reliability of high‐resolution electron backscatter diffraction determination of strain and rotation variations using phase‐only and cross correlation

This contribution analyzes the reliability of strain and rotation variation determination using cross‐ as well as phase‐only correlation of experimental wide‐angle electron backscatter diffraction (EBSD) patterns. For both rotation and three‐point bending the resulting displacement gradient tensor components are examined in terms of magnitude and statistical scatter as a function of various correlation procedure parameters and signal‐to‐noise ratio. It is shown that on the one hand the Fourier filter width has a major impact on the strain results. At higher noise level a smaller filter width has to be applied for obtaining maximum precision. On the other hand, the influence of the degree of overlap of the regions of interest positioned in the patterns is less important. For both rotation and bending experiments the cross‐correlation variant yields a smaller standard deviation with respect to phase‐only correlation, in particular for elevated noise level. The difference is attributed to the stronger propagation of noise effects in the course of phase‐only correlation function calculation and fitting. In the rotation experiment a standard deviation of ∼1.0 × 10⁻⁴, averaged over the displacement gradient tensor components, and a rotational precision of ∼1.5 × 10⁻⁴ rad have been achieved by using optimized evaluation settings.     

具有梯度结构的蛋白石光子晶体的制备

具有梯度结构的蛋白石光子晶体具有独特的光学性能。本文通过垂直沉积法和电场诱导沉积等方法共同作用将具有不同直径的聚苯乙烯(Polystyrene)胶体微球逐层组装在一起,制备出具有梯度周期尺寸变化的蛋白石结构。     

4 inch低位错密度InP单晶的VGF生长及性质研究

采用高压垂直温度梯度凝固法(VGF)生长了非掺、掺硫和掺铁的4 inch直径(100)InP单晶,获得的单晶的平均位错密度均小于5000 cm-2.对4 inch InP晶片上进行多点X-射线双晶衍射测试, 其(004)X-射线双晶衍射峰的半峰宽约为30弧秒且分布均匀.与液封直拉法(LEC)相比, VGF-InP单晶生长过程的温度梯度很低,导致其孪晶出现的几率显著增加.然而大量晶体生长结果表明VGF-InP晶锭上出现孪晶后,通常晶体的生长方向仍为(100)方向,这确保从生长的4 inchVGF-InP(100)晶锭上仍能获得相当数量的2~4 inch(100)晶片.由于铁在InP中的分凝系数很小,掺Fe-InP单晶VGF生长过程中容易出现组份过冷,导致多晶生长.通过控制生长温度梯度及掺铁量,可获得较高的掺铁InP单晶成晶率.对VGF-InP单晶的电学性质、位错密度及位错的分布特点、晶体完整性等进行了研究.     

冷心放肩微量提拉法大尺寸蓝宝石单晶生长过程的模拟分析

利用数值模拟方法计算了冷心放肩微量提拉法(SAPMAC)蓝宝石晶体生长过程.结合晶体直径变化、裂纹出现位置与延续方向、晶体透明性等实验现象,通过与提拉法、温梯法、坩埚移动法等相对比,分析了冷心放肩微量提拉法晶体生长各阶段的工艺特点,并根据模拟计算结果对晶体生长系统和晶体生长控制工艺进行了改进.分别利用增大热交换器的散热参数、降低加热温度、改进降温曲线、调节外加轴向和径向温度梯度的方式来实现对晶体生长的引晶、放肩、等径和收尾控制.通过实验比较证明了改进后的晶体生长系统和晶体生长控制工艺能够生长出性能较好的大尺寸蓝宝石晶体.     

The growth and mechanical properties of paratellurite single crystals at high temperatures

α-TeO₂ single crystals have been grown by the Czochralski method on specially developed systems with automatic growth control. The mechanical properties of crystals under compression in the [100], [110], and [221] directions at a constant strain rate of about 10⁻⁴ s⁻¹ in the temperature range T = 733−993 K have been investigated. The distribution of plastic shear strain in deformed samples is has been experimentally studied. Manifestations of localized strain in covalent paratellurite crystals at T > 900 K are revealed for the first time. The active slip systems along which localized shear band are oriented are determined. The temperature dependence of the critical stress of transition to localized flow is investigated.     

Structural and electrical properties of metamorphic nanoheterostructures with a high InAs content (37–100%) grown on GaAs and InP substrates

A complex study of the structural and electrical properties of nanoheterostructures containing a metamorphic barrier with a high InAs content (37–100%) in the active region have been performed by the Van der Pauw and X-ray diffraction methods. All peaks observed in the rocking curves for the samples studied (throughout the entire structure) have been revealed and identified. It is shown that, having properly chosen the design of the metamorphic buffer and the compositional gradient in it, one can obtain mobilities and concentrations of the 2D electron gas in the In _x Ga_1−x As quantum well in the heterostructures formed on GaAs substrates that are comparable with the corresponding values for the nanoheterostructures grown on InP substrates. It is established that the mobility and concentration of 2D electron gas depend both on the metamorphic barrier design and on the structural quality of heterostructure as a whole.     

Microstructural analysis of nanoporous paracrystalline atomistic models of amorphous silicon

A detailed microstructural analysis of amorphous silicon is performed via numerical modeling technique. Nanoporous paracrystalline models have been proposed. Intermixed nanocrystallites and nanovoids of various sizes and concentrations have been introduced into a continuous random network that was generated with a vacancy model. Using the conjugate gradient method, the structures have been relaxed by minimizing their total strain energy described by the anharmonic Keating model. The obtained nanoporous structures are energetically competitive with the voidless paracrystalline networks. Nanoporous models with large voids are energetically more favorable than those with small voids. The nanoporous paracrystalline model is less dense than the crystalline phase, contrary to the paracrystalline model. This density decreases with increasing the void size for a fixed void volume fraction. Nanoporous paracrystalline structures reproduce the experimental structure factor better than the paracrystalline network. They account for, in particular, the intense small-angle scattering observed for some a-Si samples. The paracrystallites form amorphous zones but with local and topological ordering neatly better than the surrounding matrix. Such structural heterogeneity gives so a satisfactory explanation of the nanoscale fluctuation electron microscopy data reported recently by Treacy and Gibson.     

第一性原理研究氧化锌晶体的电子结构和光学性质

为了研究氧化锌晶体的光学性质,本文采用密度泛函理论(DFT)的广义梯度近似(GGA)下的平面波赝势法计算了氧化锌晶体的电子结构、复数折射率、介电函数、光电导谱和吸收光谱.介电函数的虚部、吸收光谱、折射率等它们的峰值位置存在一一对应关系,这表明了它们之间存在着内在的联系,它们都与电子从价带到导带的跃迁吸收有关,这为从物理本质上理解氧化锌晶体的光学性质提供了重要的依据.计算结果与实验结果吻合得很好.     

Compact Permanent Magnetic Circuit with Periodic Magnetic Field Designed for Studies of Liquid Crystals

Abstract

We have developed a high-performance compact magnetic circuit to investigate orientational phase behaviors of biological and synthetic macromolecular systems by using spectroscopic methods such as X-ray scattering and light scattering. This magnetic circuit can apply a periodic magnetic field and gradient to samples. The maximum values of the magnetic field strength and gradient are varied from 1.5 tesla to 0.55 tesla and from 2.4 × 10² tesla/m to 7.3 × 10¹ tesla/m. Owing to the high periodicity of the magnetic field strength and gradient macromolecules are subjected to both rotational and translational forces from the magnetic field. We show some prominent features of this magnetic circuit and its first application to the synchrotron radiation small-angle X-ray scattering (SR-SAXS) studies of supermacromolecular liquid crystals.     

Measurement of three‐dimensional concentration gradients around a crystal growing from its aqueous solution using laser schlieren

Schlieren measurements of the gradients of the concentration field around a KDP crystal growing from its aqueous solution are reported. The measurement of the concentration gradient field is important for crystal growth because it controls the rate of solute transport from the bulk of the solution to the crystal surface. In the crystal vicinity, the concentration gradients have a three dimensional distribution. The concentration gradient field has been imaged using monochrome schlieren technique. Four view angles, namely 0, 45, 90 and 135° have been utilized. By interpreting the schlieren images as projection data of solute concentration gradient, the three‐dimensional concentration gradient field around the crystal has been determined using an algebraic reconstruction technique. At low supersaturation levels, the growth process is accompanied by weak fluid movement during which diffusion effects are significant. At higher levels of supersaturation and large crystal size, a well‐defined convective plume around the growing crystal is observed. Reconstruction of concentration gradients around the crystal explains the preferential growth rates of various faces of the crystal. The non‐circular shape of the crystal is seen to affect the symmetry of the distribution of concentration gradients in its vicinity. The effect of crystal morphology on the orientation of convection currents rising from the crystal surface has also been brought out on the basis of the reconstructed concentration gradients distribution in the growth chamber. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Microstructural analysis of paracrystalline atomistic models of amorphous silicon

A detailed microstructural analysis of amorphous silicon is performed by means of a numerical modeling technique. Paracrystalline models of amorphous silicon, first proposed by Treacy, Gibson and Keblinski, have been generated. Nanocrystallites of various sizes and concentrations have been introduced into a continuous random network that was generated with a vacancy model. Using the conjugate gradient method, the structures have been relaxed by minimizing their total strain energy described by the anharmonic Keating model. The computed pair correlation functions of these structural models bring to the fore a unique behavior of the paracrystalline networks in the context of diffraction experiments; they appear amorphous as the continuous random network model. The paracrystalline model remains denser than the crystalline phase, contrary to experimental observations. However, the former is found to be less homogenous than the CRN model, thus giving a satisfactory explanation of the nanoscale fluctuation electron microscopy data reported recently by Treacy and coworkers.     

SiC晶体的PVT生长系统及测温盲孔对热场的影响

实验中研究了不同结构参数的测温盲孔对晶体生长面热场的影响,结果分析表明:径向温度梯度和轴向温度梯度与测温盲孔的深度和半径近似成正比关系,但测温盲孔尺寸变化对径向温度梯度和轴向温度梯度的影响效果不同;改变测温盲孔尺寸适于调节径向温度梯度;测温盲孔半径和深度的增加均可导致坩埚盖上SiC多晶生长速率提高.     

Globally anisotropic high porosity silica aerogels

We discuss two methods by which high porosity silica aerogels can be engineered to exhibit global anisotropy. First, anisotropy can be introduced with axial strain (i.e. axial compression). In addition, intrinsic anisotropy can result during growth and drying stages and, suitably controlled, it can be correlated with preferential radial shrinkage in cylindrical samples. We have performed small angle X-ray scattering (SAXS) to characterize these two types of anisotropy. We show that global anisotropy originating from either strain or shrinkage leads to optical birefringence and that optical cross-polarization studies are a useful characterization of the uniformity of the imposed global anisotropy.     

极化方法对PZT-4压电陶瓷性能的影响

Pb(Zr_1-xTi_x)O₃ (PZT)由于具有优异的综合性能而成为应用最广泛的压电陶瓷。之前研究工作证明了与直流极化(DCP)和交流极化(ACP)相比,采用交流极化和直流极化相结合的方法能进一步提高弛豫铁电单晶材料的压电性能。本工作报道了直流极化、交流极化和交流极化+直流极化后PZT-4压电陶瓷的介电性能和压电性能,探究了直流极化、交流极化和交流极化+直流极化的最佳极化条件。在最佳交流极化+直流极化条件下, PZT-4 压电陶瓷的压电常数(d₃₃)为350 pC/N,相比直流极化(305 pC/N)、交流极化(320 pC/N)分别提高了15%和9%。交流极化后的PZT-4陶瓷样品的应变值(0.08%)高于进行直流极化样品的(应变值0.05%),表明交流极化可以有效提高PZT-4陶瓷的应变值,但是交流极化后应变曲线的滞后增大不利于器件应用,交流极化对硬性压电陶瓷的影响还需要进一步探讨。     

Characterization of InAs quantum dots on lattice-matched InAlGaAs/InP superlattice structures

Self-assembled InAs quantum dots (QDs) in an InAlGaAs matrix, lattice-matched to InP substrate, have been grown by molecular beam epitaxy (MBE). Transmission electron microscopy (TEM), double-crystal X-ray diffraction (DCXRD) and photoluminescence (PL) are used to study their structural and optical properties. In InAs/InAlGaAs/InP system, we propose that when the thickness of InAs layer deposited is small, the random strain distribution of the matrix layer results in the formation of tadpole-shaped QDs with tails towards random directions, while the QDs begin to turn into dome-shaped and then coalesce to form islands with larger size and lower density to release the increasing misfit strain with the continuous deposition of InAs. XRD rocking curves showing the reduced strain with increasing thickness of InAs layer may also support our notion. The results of PL measurements are in well agreement with that of TEM images.     

Effect of hetero-interfaces on in situ wafer curvature behavior in InGaAs/GaAsP strain-balanced MQWs

Using high-accuracy in situ curvature measurement during growth of InGaAs/GaAsP strain-compensated multiple quantum wells (MQWs) by metal organic vapor phase epitaxy (MOVPE), we have successfully clarified the effect of hetero-interfaces on strain control in InGaAs/GaAsP strain-balanced MQWs. By analyzing curvature transients and X-ray diffraction (XRD) fringe patterns, we found that an inadequate gas-switching sequence induces unintended atomic content at the interfaces between InGaAs and GaAsP and then influences the average strain of the structure. Through considering the atomic characteristics and measuring the reflectance anisotropy transient during growth, it has been revealed that the optimized stabilization time for arsenic and phosphorus mixture before GaAsP barrier growth should be longer than 3 s at 610 °C.