同步辐射白光形貌术定量计算晶体的残余应力

提出了一种利用同步辐射白光形貌术定量计算晶体残余应力的方法.晶体的残余应力与晶格畸变之间存在定量关系,衍射斑点的畸变程度可以反映晶格的畸变量,据此可以计算晶体中的残余应力.文中以碳化硅单晶样品残余应力的定量计算作为实例,展示了实验方法和计算过程.结果表明该样品的残余应力以正应力为主.     

同步辐射单色光形貌术观察6H-SiC单晶中的微管缺陷

采用同步辐射单色光形貌术观察了6H-SiC单晶中的微管缺陷,发现晶片中Burgers矢量为1c的螺位错具有较高的密度.此外,还观察到对应较大Burgers矢量的微管.基于微管附近的应变场,并根据衍射几何,模拟计算了一系列具有不同Burgers矢量的微管在形貌像中的直径,计算结果与实验观察符合较好.     

同步辐射X射线形貌术在晶体生长和缺陷研究中的应用

本文介绍了同步辐射光源的特点,以及在应用于X射线形貌术时带来的各种好处.并通过介绍在北京同步辐射装置上所做的若干实验成果,扼要叙述了同步辐射X射线形貌术在晶体缺陷研究和晶体生长中的应用.     

X-ray Characterization of Defect Structure in LEC Annealed GaAs Crystals

Wafers of commercially available semi-insulating (SI) Czochralski-grown GaAs crystals have been annealed at temperatures near the melting point (> 1100 °C) both for relatively short and long time and then rapidly quenched into cold water. Heat-treated crystals have been investigated by X-ray transmission diffraction topography. Cellular structure pattern of the as-grown sample is replaced by images of precipitates spread out over whole sample. This suggests that the excess arsenic condenses as As precipitates with nucleation sites not correlated with cell walls.     

Cu(II) Compounds with Pyrimidine-Based Chelating Ligands,Bridged by a Flexible Alkyl Spacer: Synthesis,Characterisation and X-Ray Structures of Methoxide-Bridged Dinuclear-Based Species

Abstract  The synthesis and full structural characterisation is described of 3 dinuclear-based Cu(II) compounds bridged by methoxide anions, and flexible linear bis(pyrimidine)-α,ω-diaminoalkane ligands. The structures are dinuclear based in all cases, in which the bis(pyrimidine)diaminoalkane ligand chelates to 2 Cu(II) ions in the same dinuclear unit (N–C–C–C–C–C–N linker), or to two different dinuclear units (with the short N–C–C–N linker), thereby generating a polymeric chain. The magnetic exchange in the compounds is dominated by the alkoxido-bridged ligands, which generate a very strong antiferromagnetic coupling between the Cu(II) ions, resulting in diamagnetism at room temperature and below, and EPR silent behaviour. Index Abstract  Dinuclear-based Cu(II) compounds with pyrimidine-based chelating ligands flexible linear bis(pyrimidine)-α,ω-diaminoalkane ligands are described, bridged by methoxide anions. The structures are dinuclear based in all cases, with the ligand chelating to 2 Cu(II) ions in the same dinuclear unit (N–C–C–C–C–C–N linker), or to 2 different dinuclear units (with short N–C–C–N linkers). The very strong antiferromagnetic magnetic exchange in all compounds is caused by the alkoxido-bridged ligands. Electronic supplementary material  The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

X-Ray Characterization of Guanidine Aluminium Sulfate Hexahydrate Crystals in Relation to their Ferroelectric Properties

Characterization of growth defects by X-ray topography of Guanidine aluminium sulfate hexahydrate crystals allows to set a close correlation between ferroelectric domain and growth sector patterns. The crystalline quality of prismatic sectors is much better than that of basal sectors.     

The Role of Host Molecules in the Crystalline Inclusion Compounds: Hexamethylenebis(trimethylammonium) dications as guest species

ABSTRACT

This report demonstrates hybrid homeotropic alignment of liquid crystals (LCs) using a self-assembled molecular (SAM) layer. 4-(4-Hep-tylphenyl)benzoic acid forms a SAM layer through hydrogen bonding with indium-tin oxide (ITO) substrate, and the LCs were aligned vertically without a polyimide (PI) layer on one side of substrate. The proposed hybrid structure featured a more stable homeotropic alignment than the LC device (LCD) with only half of a PI layer, and showed electro-optical characteristics similar to conventional LCDs with full PI layers. The SAM layer showed stable alignment and fast response in the LC cell by a simple doping method.     

Inclusion of carbon nanotubes in a TiO2 sol-gel matrix

We report here the successful inclusion of carbon nanotubes (CNs) into a TiO₂ matrix prepared by a sol-gel method. The presence of CNs in the sol-gel matrix and the structure of the film were analyzed principally by transmission electron microscopy. Complementary information about the behavior of embedded carbon nanotubes versus heat treatment and ion irradiation were obtained by X-ray photoelectron spectroscopy. The elaboration of an inorganic matrix containing embedded carbon nanotubes leads to a new nanocomposite. The possible applications of this nanocomposite are discussed.     

On the Application of Direct Methods in X-Ray Structure Analysis: Survey on Number and Kind of Solved Acentric Equal Atom Structures

A statistical analysis of all acentric equal atom structures solved by direct methods and reported in Acta Crystallographica from January 1968 to November 1978 has been carried out. The most frequently applied direct methods programs are the MULTAN, SAP and SHELX. About 80% of all considered structures belong to the space groups P2₁2₁2₁ and P 2₁. Problems with direct methods can arise if the number of the nonhydrogen atoms per asymmetric unit is greater then about 40 and/or the space group belongs to a category in which the definition of the enantiomorph is difficult.     

白光LED用红色荧光粉SrMoO4: Eu3+,Gd3+的制备与表征

采用共沉淀法合成了红色荧光粉Sr1-x-yMoO4∶ Eu3+x,Gd3+y,分别对样品进行了X射线衍射(XRD)分析、扫面电镜(SEM)和荧光光谱(PL)的测定.结果表明:所合成的样品均为单一纯相四方晶系结构,添加Gd3+(为0.35mol时)使主衍射峰的位置右移了0.35°;SEM照片显示:SrMoO4∶ Eu3+和SrMoO4∶Eu3+,Gd3+颗粒尺寸分布相对均匀,为类方块状,颗粒大小约为1～3μm;Gd3+和Eu3+的共掺得到的SrMoO4∶ Eu3+,Gd3+在616 nm处主发射峰的发光强度约是SrMoO4∶Eu3+的2.09倍;当掺杂x=0.25 mol和y=0.35 mol时,在近紫外光(395 nm)激发下,SrMoO4Eu3+,Gd3+得到616 nm处红光发射极峰.     

Characterization of heterointerfaces in GaAs/MnAs/MnZn-ferrite structures

We have grown GaAs epitaxial films on MnZn-ferrite substrates using MnAs buffer layers and investigated their heterointerfaces with glazing incidence-angle X-ray reflectivity and X-ray photoelectron spectroscopy. It has been found that the heterointerfaces for this structure are quite abrupt and the roughness at the GaAs/MnAs and MnAs/MnZn-ferrite interfaces are 1.1 and 0.2 nm, respectively. We also found that the diffusion of atoms through the GaAs/MnAs interface into the GaAs film is negligible. These results indicate that the MnAs buffer layer for the GaAs/ferrite structure is chemically stable and promising for the application to the future magnetic electronics.     

Anomalous Defect/Impurity Dominated Dielectric Behaviour of Lauric Acid in the Solid Phase

The dieiectric permittivity and loss of solid lauric acid (C₁₁H₂₃COOH) at. audio and radio frequencies are reported for the temperature range from 1.5K to near the melting point No features attributable to confirsurational interchange within the acid-dimer groups are observed. The peculiarities of the data are discussed in terms of the liquid-liKe regions associated with impurity and defect centres.     

Hydrogen-Bonding in the Structures of the Hydrated Proton-Transfer Compounds of Isonipecotamide with the Isomeric Indole-2- and Indole-3-Carboxylic Acids

Abstract  

The structures of two hydrated proton-transfer compounds of 4-piperidinecarboxamide (isonipecotamide) with the isomeric heteroaromatic carboxylic acids indole-2-carboxylic acid and indole-3-carboxylic acid, namely 4-carbamoylpiperidinium indole-2-carboxylate dihydrate (1) and 4-carbamoylpiperidinium indole-3-carboxylate hemihydrate (2) have been determined at 200 K. Crystals of both 1 and 2 are monoclinic, space groups P2₁/c and P2/c, respectively with Z = 4 in cells having dimensions a = 10.6811(4), b = 12.2017(4), c = 12.5456(5) ?, β = 96.000(4)° (1) and a = 15.5140(4), b = 10.2908(3), c = 9.7047(3) ?, β = 97.060(3)° (2). Hydrogen-bonding in 1 involves a primary cyclic interaction involving complementary cation amide N–H···O(carboxyl) anion and anion hetero N–H···O(amide) cation hydrogen bonds [graph set R₂²(9)]. Secondary associations involving also the water molecules of solvation give a two-dimensional network structure which includes weak water O–H···π interactions. In the three-dimensional hydrogen-bonded structure of 2, there are classic centrosymmetric cyclic head-to-head hydrogen-bonded amide–amide interactions [graph set R₂²(8)] as well as lateral cyclic amide-O linked amide–amide extensions [graph set R₄²(8)]. The anions and the water molecule, which lies on a twofold rotation axis, are involved in secondary extensions.     

反相微乳液法制备CdS/ZnS纳米晶及其表征

用反相微乳液法制备了CdS纳米粒子,以ZnS对其表面进行包裹,得到了核壳结构的CdS/ZnS纳米晶.采用X射线衍射(XRD)、透射电镜(TEM)表征其结构、粒度和形貌,紫外-可见吸收光谱(UV-VIS)、光致发光光谱(PL)表征其光学特性.制得的CdS纳米微粒近似呈球形,直径约3.6nm;包裹以后颗粒仍为球形,粒径约10nm,以XRD、UV-VIS和PL证实了CdS/ZnS核壳结构的实现.文章还研究了不同Zn/Cd的摩尔比对CdS/ZnS纳米微粒光学性能的影响,UV-VIS谱表明随着壳层厚度的增加CdS/ZnS纳米晶的吸收带边有轻微的红移;PL谱表明壳层ZnS的包覆可减少CdS纳米微粒的表面缺陷,带边直接复合发光几率增大,且具有合适的壳层厚度时,CdS核层的发光效率有较大提高.     

锌、镉-1,2,4-三氮唑-二元脂肪酸配位聚合物的合成与表征

在水热条件下,硝酸锌和硝酸镉分别与1,2,4-三氮唑(trz)及二元脂肪酸(已二酸:H2adi;丁二酸:H2suc)反应,得到两个新型配位聚合物[Zn7 (adi)4 (trz)4(OH)2(H2O)2]n(1),{[Cd3(suc)(trz)2(H2O)8](NO)2}n(2).配位聚合物1中,二维层状结构由新型结构基元[Zn7(trzz)4]10+与己二酸根(adi)连接形成,再由己二酸根连接二维层形成三维网络结构.配位聚合物2为二维层状结构,每层内结构基元[Cd2(trz)2]2+通过镉离子的连接形成一维链[Cd3(trz)2]n4n+,丁二酸根在垂直方向上连接一维链,层层之间以错开方式沿b轴排列.     

介孔球形LiFePO4/C原位复合材料制备与表征

磷酸铁锂由于其安全性好,价格低廉,理论比容量高等优势而成为一种重要的锂离子电池正极材料.本文利用微生物法与水热法相结合的新方法成功制备出介孔LiFePO4/C原位复合材料.以微生物为模板和碳源,通过与金属离子和磷酸根离子的矿化作用形成盐类混合物,经200℃水热反应,从而形成LiFePO4/C原位复合材料.通过结构与性能表征,该复合材料具有介孔球形结构,在0.1C倍率下的首次放电容量可达到134 mA·h.g-1,比普通水热法合成的样品的比容量提高了近30;,且其充放电性能有着很好的对称性和较小的极化现象.其性能显著提高的主要原因是材料具有介孔球形结构和原位复合碳的存在,从而促进了锂离子的嵌入与脱出和电子传导.     

Characterization of plasma etching of molybdenum polycid conductor stacks in Cl2/CF4 and Cl2/CF4/O2

The present paper is concerned with an extremly anisotropic two-step patterning process for Mo2Si/poly-Si double layers with an etch-stop on thick P-doped CVD-SiO₂. As etching gas Cl₂/CF₄/O₂ and Cl₂/CF₄ are used. By means of etch rate dependencies, volatilities of possible reaction products and results, obtained from the literature it is attempted to develop a simple qualitative model on the chemism of the process.     

硅太阳电池用MgF2/ZnS双层减反射薄膜的制备及表征

采用真空热蒸发技术,制备出了性能优良的MgF2/ZnS双层减反射薄膜.采用扫描电子显微镜、X射线衍射仪对薄膜的形貌以及结晶形态进行分析,采用椭圆偏振仪测试薄膜的折射系数及厚度,利用反射谱对双层减反射薄膜的减反射性能进行了表征.研究表明:衬底温度为200 ℃时薄膜附着力、结晶态良好;蒸发速率影响薄膜的表面形态;MgF2/ZnS厚度为110 nm/35 nm时具有最佳减反射效果.     

Characterization of the disordered phosphate network in CaO-P2O5 glasses by P solid-state NMR and Raman spectroscopies

In this study, the disordered network of calcium phosphate glasses is investigated by Raman scattering and ³¹P magic angle spinning (MAS) solid-state NMR spectroscopies. The use of both spectroscopies in a combined approach allows drawing a detailed understanding of the structure of these glasses. The P―O―P connectivity between successive PO₄ tetrahedra is probed using through-bond double quantum-single quantum (DQ-SQ) and triple quantum-single quantum (TQ-SQ) MAS NMR correlation experiments. Over the broad range of glass compositions studied here, two very different phosphate network topologies are encountered. The results obtained for the polyphosphate compositional range (above 50 mol% Ca) allow determining the phosphate chain-length distribution in the glass as a function of the modifier cation content. For the ultraphosphate region (below 50 mol% Ca), the network topology undergoes a sudden change close to 39 mol% Ca which can be interpreted in terms of a rigidity transition.