Kossel line analysis on crystallization in colloidal suspensions

The processes of crystallization in salt-free aqueous suspensions of highly-charged latex particles were observed by laser diffraction experiments for semi-dilute specimens of concentration 0.1–10 vol%. The Kossel diffraction patterns provide accurate three-dimensional information on the suspensions enabling the time evolution of the crystal structure to be recorded in detail. The results showed that the ordering formation evolved by way of the following intermediate processes: two-dimensional hep structure ← random layer structure ← layer structure with one sliding degree of freedom ← stacking disorder structure ← stacking structure with multivariant periodicity ← fcc structure with (111) twin ← normal fcc structure. For less concentrated suspensions (< 2 vol %), the phase transition proceeded further from the normal fcc structure to the normal bcc structure via the bcc twin structure with twin plane (112) or (112).     

Nanostructures and deformation mechanisms in a cryogenically ball-milled Al-Mg alloy

An Al-7.6 at.% Mg alloy was ball milled in liquid N₂ for 8 h and its microstructures were investigated using transmission electron microscopy. Electron diffraction confirmed that the resulting powder is a supersaturated Al-Mg solid solution with an fcc structure. Three typical nanostructures with different grain-size ranges and shapes were observed and the deformation mechanisms in these structures were found to be different. High densities of dislocations were found in large crystallites, implying that dislocation slip is the dominant deformation mechanism. The dislocations rearranged to form small-angle subboundaries upon further deformation, resulting in the formation of medium-sized crystallites with diameters of 10-30 nm. In very small crystallites with dimensions less than 10 nm, twinning becomes an important deformation mechanism. The reasons for the different deformation mechanisms were discussed. Some defects, such as twin boundaries, and small- and large-angle grain boundaries were investigated in detail.     

twins in Mo-doped TiSi 2 thin films with the C54 structure

The defect structures in orthorhombic C54 crystallites in thin films of Mo-doped TiSi 2 produced by co-sputtering have been investigated by transmission electron microscopy. Almost all C54 crystallites contain a twin boundary parallel to (101), dividing a crystallite into two regions, each of which also contains many thin twins with the habit plane parallel to (001), which is inclined by about 45° from (101). Both of the two regions divided by the twin boundary parallel to (101) tend to have facets on (001) as well as thin twins with the habit plane parallel to (001). As a result, C54 crystallites exhibit a characteristic shape just like an oak leaf. While twins with the (001) habit plane have been observed in C54 crystallites in both binary and Mo-doped TiSi 2 thin films, those with the (101) habit plane are present only in Mo-doped TiSi 2 thin films. The twinning elements for (101) twins are determined to be K 1 = (101), , K 2 = (001) and m2 = [100]. The origin of (101) twins in Mo-doped TiSi 2 is discussed in terms of the change in the c / a axial ratio upon alloying TiSi 2 with Mo.     

Stacking faults in ultra-thin films of silver on Al(111) investigated by medium energy ion scattering

Medium energy ion scattering has been used to investigate depositions of 0.2, 1.4, 3.5 and 4.8 ML of silver onto Al(111). Energy profiles indicate alloying to the extent that aluminium is still visible after the deposition of 4.8 ML. From assessments of the visibility, blocking dips and fits using VEGAS simulations it is shown that the first two layers continue the fcc stacking but after that hcp and fcc twin-type stacking faults occur. The 1.4 ML structure is consistent with a mixed structure of 85% fcc and 15% hcp indicating that some silver occupies a third layer. The blocking curve from the structure formed by 3.5 ML equivalent deposition can be simulated by 56% fcc, 32% hcp and 12% fcc twin and that from 4.8 ML by 59% fcc, 23% hcp and 18% fcc twin. This provides direct evidence of the incidence of hcp stacking when silver is deposited onto Al(111) in the range between 2 and 5 ML.     

Ball milling of Fe40Ni40P20-xSix (x = 6, 10 and 14): production and characterization

Progress in the ball milling amorphization of elemental powders with the overall composition Fe₄₀Ni₄₀P_{20 ? x}Si_x (X = 6, 10 and 14) and thermally induced crystallization of obtained alloys were characterized by differential scanning calorimetry, X-ray diffraction and transmission Mössbauer spectroscopy (TMS). Diffusion of Si into Fe and Ni alloys promotes the formation of the amorphous phase, via previous formation of (Fe, Ni) phosphides. After milling for 32–64 h, most of the powders are amorphous but bcc Fe(Si) crystallites remain (about 5% in volume). TMS results indicate that homogenization of the amorphous phase occurs by interdiffusion of Ni and Fe in Fe(Si,P)-rich and Ni(Si,P)-rich zones respectively. Annealing induces structural relaxation of stresses induced by milling, growth of bcc Fe(Si) crystallites, precipitation of bcc Fe(Si) and fcc Ni–Fe, and minor phases of Ni-rich silicides and (Fe, Ni) phosphides. The main ferromagnetic phase is bcc Fe(Si) for Fe₄₀Ni₄₀P₁₀Si₁₀ powders obtained after milling for 32 h. However, it is fcc Fe–Ni for the same alloy after milling for 64 h. In the later powders, as well as for alloys with x = 6 and 14 milled for 32 h, the fcc Fe–Ni shows the Invar magnetic collapse.     

Formation of bcc-Ni thin film on GaAs(100) substrate and phase transformation from bcc to fcc

Ni thin films are prepared on GaAs(100) single-crystal substrates at room temperature by using an ultra-high vacuum radio-frequency magnetron sputtering system. The growth behavior and the crystallographic properties are studied by in-situ refection highenergy electron diffraction and pole-figure X-ray diffraction. In an early stage of film growth, a metastable bcc Ni(100) single-crystal film is formed on GaAs(100) substrate, where the bcc structure is stabilized through hetero-epitaxial growth. With increasing the film thickness, fcc crystals coexist with the bcc(100) crystal. High-resolution cross-sectional transmission electron microscopy shows that the film consists of a mixture of bcc and fcc crystals and that a large number of planar faults exist parallel to the fcc(111) close-packed plane. The results indicate that the bcc structure starts to transform into fcc structure through atomic displacement parallel to the bcc{110} close-packed planes.     

Fe在Ru(1010)表面上沉积的LEED，ARUPS研究

Fe在Ru(1010)表面上的沉积,经过LEED和ARUPS的测量研究.结果表明,经过退火Fe在Ru(1010)表面根据覆盖度大小分别形成(1×1)和P(2×1)结构.当覆盖度大于10个单层时,表面结构不再保持与衬底相关的晶格常数与对称性,形成fcc铁的(111)外延结构.铁覆盖度较小时,费米能级附近的价电子能级与清洁时相似,外延fcc铁表面则形成了与表面有关的价电子能级. 关键词：     

The lattice structure of antiferromagnetic γ-iron

Coherent precipitates of γ-iron in a copper matrix have been investigated by X-ray diffraction in the temperature range from 300 to 6 K. Below the temperature of the antiferromagnetic ordering (T_N ≈ 70 K) a shift and a splitting of the Bragg-peaks are observed indicating a reduction of the symmetry of the fcc lattice of the γ-iron and a small increase of the atomic volume by 0.3%. The details of the complex diffraction pattern at low temperatures can be explained by a tetragonal distortion of the lattice (≈0.5% difference of the cube axes) in combination with a periodic domain structure with domain sizes of about 9 nm.     

Performance of different types of detectors in a high-pressure X-ray study of phase transition

Abstract

Phase transitions in praseodymium and lanthanum under pressure have been studied using a synchrotron powder X-ray diffraction technique. A structure refinement of the distorted fcc phase of Pr using diffraction data collected with an imaging plate (IP) detector demonstrate that among some possible structures the rhombohedral structure with space group R3m best reproduces the observed diffraction pattern. The distorted fcc-fcc phase transition in La was observed as a function of the temperature at 23 GPa using a CCD-based detector. A five-minute exposure sufficiently long to measure the intensities of very weak superlattice reflections from the distorted fcc phase, which has been found to transform to the fcc phase at 550 K. The performance of the IP and a CCD-based detector are compared and their future developments discussed.     

Structural and magnetic phase formation in nanophase brass—iron electron compounds

Starting with Cu0.65Zn0.35 with an e/a ratio of 1.35 we studied the phase formation in nanophase (Cu_0.65Zn_0.35)_1?x Fe _x alloys in the concentration range 0.1 ≤x ≤0.7 to see the effect of altering the electron concentration. The evolution of bcc phase from the fcc phase as a function of Fe concentration was investigated by Mössbauer spectroscopy and X-ray diffraction. The grain size, lattice parameters, and average hyperfine magnetic field distributions were estimated for the nanophase alloys. The fcc phase was observed to persist up to 40 atomic per cent Fe substitutions, a mixed (fcc + bcc) phase region up to 70 atomic per cent Fe and bcc phase beyond 70 atomic per cent Fe. The magnetic state of the alloys changed from nonmagnetic forx ≤0.3 to magnetically ordered state at room temperature forx ≤0.33, which lies in the fcc phase region. The fcc phase alloys of Fe with non-magnetic metals have very low magnetic transition temperatures. However, in this system the room temperature state is unusually magnetic     

Structure and magnetism in compressed iron–cobalt alloys

Combined Co K-edge XANES-XMCD and XRD measurements were used to shed light on the magnetic and structural phase diagram of the Fe_1?x Co _x alloy under HP in the Co-rich region (x≥0.5). At 0.5≤x≤0.75, the alloy shows a pressure-induced structural/magnetic phase transition from bcc-FM to hcp-non-FM phase just like pure iron but at higher pressures. The x=0.9 sample has an fcc structure in the pressure range investigated but presents an FM to non-FM transition at P=64 GPa, a significantly lower pressure compared with pure Co (predicted ≈120 GPa), showing that Fe impurities strongly affect the HP Co response.     

Whole diffraction pattern-fitting of polycrystalline fcc materials based on microstructure

A method is proposed for modelling the complete diffraction pattern of fcc polycrystalline materials. The algorithm permits a simultaneous refinement of several parameters related to microstructure and lattice defects responsible for line broadening effects. Linear (dislocations) and planar (stacking faults) defects are considered in detail, together with the effect of size and shape of coherent scattering domains (crystallites). Experimentally observed profiles are modelled by Voigt functions, whose parameters are connected with those describing the dislocation field (dislocation density, outer cut-off radius, average contrast factor), twin and deformation fault probabilities, and domain size, also considering the effect of a symmetrical instrumental profile. Domain shape is assumed spherical, with a lognormal distribution of diameters; however, the approach can be generalised to different shapes and size distributions. The proposed algorithm can be extended to other crystalline structures, and can be used within the Rietveld method or as a Whole Powder Pattern Fitting (WPPF), as in the present work. Received 16 May 2000     

The influence of substrate temperature on the structure and morphology of sexiphenyl thin films on Au(111)

The layer growth of ultra-thin films of sexiphenyl on Au(111) has been studied as a function of substrate temperature under well-defined ultra-high-vacuum conditions. In situ X-ray photoelectron spectroscopy in combination with thermal desorption spectroscopy was applied to reveal the kinetics of layer growth and recrystallisation. Ex situ atomic force microscopy and X-ray diffraction were used to determine the film morphology and film structure. A continuous small-grain film is obtained at 93 K. The crystalline structure of the grains has been confirmed by X-ray diffraction. However, the grains are not preferentially oriented with respect to the substrate. Around room temperature, recrystallisation takes place and the molecules within the crystallites orient parallel to the substrate surface. Further small substrate temperature changes during growth lead to further changes of the film morphology and to reorientation of the crystallites. However, the molecules in the crystallites stay aligned parallel to the surface. At temperatures greater than 350 K, terraced islands of standing molecules are observed, in addition to needle-like islands with flat-lying molecules. PACS 68.55.-a; 61.66.Hq; 81.10.Bk     

Cl原子在γ-TiAl(111)表面吸附的第一性原理研究

基于密度泛函理论,在广义梯度近似下研究了Cl在γ-TiAl(111)表面的吸附.计算结果表明:γ-TiAl(111)表面的面心立方位置(fcc)和六角密排位置(hcp)为Cl吸附的稳定位置,当覆盖度Θ小于一个单层(ML)时,Cl原子倾向于吸附在γ-TiAl(111)表面近邻为多Ti的位置.电子结构分析发现,Cl原子同表面金属原子形成较强的离子键,并且成键具有一定的方向性.当Cl原子和O原子共同在γ-TiAl(111)表面吸附时,二者都趋     

Angle-resolved photoemission study of Ag nanofilms grown on fcc transition-metal (111) substrates

A comparative study of the electronic structures of Ag nanofilms on the pseudomorphic metastable fcc Fe(111) and bulk-like fcc Co(111) substrates has been carried out to investigate their quantized electronic structures. The photoemission spectra of both Ag nanofilms exhibit the fine structures derived from the quantized sates of Ag sp valence electron. The nanofilm-thickness dependences of the binding energy of the quantized states are reproduced by the calculated results based on the phase accumulation model. From the angle-resolved photoemission measurements, the effective masses of the quantized electronic states along the direction parallel to the nanofilm surface were directly determined. We discuss the electronic hybridization effect between quantized states in Ag nanofilm and 3d-derived electronic states in transition-metal substrates.     

溅射制备的Co/V多层膜微观结构特征与铁磁共振研究

研究了用射频磁控溅射方法制备的［Co(1.5nm)/V(d_V)］₂₀(0.5nm≤d_V≤4nm)多层膜的结构和磁性.用X射线衍射、透射电子显微镜、高分辨率透射电子显微镜等手段对其结构的分析,表明它们层状周期结构良好,沿膜的生长方向具有fcc Co(111)和bcc V(110)织构,且是由小的柱状晶粒构成的多晶薄膜.界面一定程度的合金化,使其成为成分调制周期结构,也是它们的一个结构特征.由其铁磁共振谱计算得到较小的g因子和4πM_{e 关键词：}     

Study of molecular beam epitaxy of cadmium telluride on sapphire

The effect of thermal treatment of (0001) sapphire substrates on the structure of cadmium telluride films grown by molecular beam epitaxy was investigated. The growth process was carried out on a laboratory facility equipped with a mass spectrometer and electron diffractometer. It was established that no annealing or annealing in vacuum (P < 0.13 Pa) results in the growth of polycrystalline CdTe films. Epitaxial CdTe films with a cubic structure of the sphalerite type oriented with the (111) plane parallel to the substrate grow on the substrates annealed in air at T > 1000°C. Electron diffraction patterns showed that they have a mosaic structure and contain twins with the 〈111〉 twinning axis. Atomic-force microscopic images revealed CdTe crystallites with lateral sizes of ∼50 nm arranged along the steps on the sapphire substrate surface. These results allowed the conclusion to be drawn that the growth of CdTe on sapphire substrates can occur by the formation of the three-dimensional nucleation centers according to the Volmer-Weber mechanism.     

Molecular dynamic studies of the interaction of a/6⟨112⟩ Shockley dislocations with stacking fault tetrahedra in copper. Part II: Intersection of stacking fault tetrahedra by moving twin boundaries

The interactions of moving twin boundaries with stacking fault tetrahedra (SFTs) have been studied by molecular dynamics. The results reveal a spectrum of processes occurring during these interactions. In general, they lead to damage of the parent SFT and formation of new defects in the twin lattice. The character of these defects depends on the nature of the twinning front, the size of the SFT and its orientation with respect to incoming dislocations. Typical structures that may be produced in the twin include product-SFTs, free vacancies, planar stacking faults bounded by partial dislocations, mutually linked stacking faults on non-coplanar {111} _T planes, small {111} _T tetrahedra and their partial forms. Dislocation mechanisms involved in the formation of these defects are being analyzed.     

CVD金刚石薄膜孪晶形成的原子机理分析

采用X射线衍射技术、电子背散射衍射技术和扫描电镜分别观察了不同甲烷浓度条件下沉积的CVD自支撑金刚石薄膜的宏观织构、晶界分布和表面形貌. 研究了一阶孪晶在金刚石晶体{111}面生长的原子堆垛过程. 结果表明，由于一阶孪晶〈111〉60°的取向差关系以及{111}面的原子堆垛结构，使{111}面上容易借助碳原子的偏转沉积产生一阶孪晶. 低甲烷浓度时，碳原子倾向于在表面能较低的{111}面沉积，为孪晶的形成提供了便利，且高频率孪晶使薄膜织构强度减弱. 甲烷浓度升高使生长激活能较小的{001}面成为主要前沿生长面，因而只有〈001〉晶向平行薄膜法向的晶粒能够不断长大，因此孪晶形核概率明显减小. 另外，在薄膜中发现二阶孪晶，并对二阶孪晶的形成进行了分析. 关键词： 金刚石薄膜 孪晶 原子机理 取向差     

Effect of WO3 on the glass transition and crystallization kinetics of borotellurite glasses

Tellurite glasses of the system xWO₃–75TeO₂–(25 ? x)B₂O₃ (0 ≤ x ≤ 25 mol. %) were prepared and studied by differential thermal analysis to explore the effect of WO₃ on their glass transition and crystallization kinetics. The crystallization kinetics was studied under non-isothermal conditions using the formal theory of transformations for heterogeneous nucleation. The crystallization results were analyzed and both the activation energy of the crystallization process and the crystallization mechanism characterized. The phases into which the glass crystallizes were identified by X-ray diffraction. Diffractograms of the transformed material indicate the presence of microcrystallites of α-tellurite, Te_0.95W_0.05O_2.05, Te₂W and B₂O₃ in the amorphous matrix.