Asphericity in the Fermi Surface and Fermi Energy of Na-K, Na-Rb and Na-Cs Binary Alloys

Detailed theoretical investigations into asphericity in the Fermi surface (FS) and Fermi energy (FE) ofNa1_xKx, Na1_xRbx, and Na1_xCsx binary solid solutions are carried out for the first time. The alloying behavior ofthe K, Rb, and Cs with the Na generates the Fermi surface distortion (FSD) of bce simple metals. The FS of Na-K,Na-Rb, and Na-Cs solid solution is a distorted sphere with the largest deviation along [110]. We have found that theimpact of local-field correction function on FSD is maximun at [100] point and minimum at [111] point. The exchangeand correlation effect is found to suppress the value of FE.     

Performance and early applications of a versatile double aberration-corrected JEOL-2200FS FEG TEM/STEM at Aalto University

Applications relevant to carbon based nano-materials have been explored using a newly installed JEOL-2200FS field emission gun (FEG) (scanning) transmission electron microscope (S)TEM which is integrated with two CEOS aberration correctors for both the TEM image-forming and the STEM probe-forming lenses. The performance and utility of this newly commission hardware has been reviewed with a particular focus on operation at an acceleration voltage of 80 kV, thus bringing the primary electron beam voltage below the knock-on threshold for carbon materials and opening up a range of possibilities for the study of carbon-based nanostructures in the aberration-corrected electron microscope. The ability of the microscope to obtain both atomic TEM images and high-quality electron diffraction patterns from carbon nanotubes was demonstrated. The chiral structure of a double-walled carbon nanotube was determined from its diffraction pattern. The aberration corrected TEM imaging technique facilitates a unique approach to accurate determination of single-walled carbon nanotube diameters. On the other hand, the probe-corrected high angle annular dark field (HAADF) STEM imaging performance allows for the detection of single gold atoms at 80 kV and was used to study the graphite interlayer spacing in a multi-walled carbon nanotube.     

Intensity variations in the near-band-edge recombination of GaP epitaxial layers, grown on (111) and (001) oriented substrates, as observed by cathodoluminescence imaging

In this study a comparison between GaP layers, grown by metalorganic vapour phase epitaxy on either (111) oriented GaP substrates or (001) oriented GaP substrates, is made with respect to the near-band-edge luminescence. Spectrally resolved cathodoluminescence, CL, images were recorded at ˜ 25 K with detection on either the bound exciton emission or the donor-to-acceptor pair emission. The intensity variations observed in the CL images are interpreted in terms of aggregation of impurities around threading dislocations. Contrary to the layers grown on (001) oriented substrates, the layers grown on (111) oriented substrates show a segregation effect of the acceptor constituent involved in the donor-to-acceptor pair emission.     

Direct observation of a (3 x 3) phase in alpha-Pb/Ge(111) at 10 K

We have investigated the recently reported structural phase transition at low temperature (LT) for alpha-Pb/Ge(111) [from a (3 x 3) symmetry to a disordered phase] using scanning tunneling microscopy (STM). By tracking exactly the same surface regions with atomic resolution while varying the sample temperature from 40 to 140 K, we have observed that substitutional point defects are not mobile, in clear contrast to previous assumptions. Moreover, STM data measured at the lowest temperatures ever reported for this system (10 K) show that while filled-state images display the apparent signature of a glassy phase with no long-range order, in empty-state images honeycomb patterns with (3 x 3) periodicity, and not distinguishable from data measured at much higher temperatures, are clearly resolved. These new observations cast serious doubts on the nature and/or on the existence of a disordered phase at LT.     

镱铥共掺杂的氟化镧纳米粒子的亮蓝色上转换发光

采用反胶束法合成镱铥共掺杂的氟化镧纳米粒子.这种反胶束是由微乳液作为合成媒介,这些分散的纳米粒子在化学成分、尺寸分布上是可控的.产物形貌经场发射扫描电镜和透射电镜表征.固态样品分散在乙醇中,在未经超声处理时,样品表现为玉米棒样的聚集.棒的平均直径和长度分别为110,575nm.我们认为这种大量纳米粒子聚集成良好超结构是由于溶剂挥发,分子交叉链接或者表面活性剂分子附着于纳米粒子特殊晶面造成的.当样品经过超声处理后,由于超声振动破坏了上述因素,玉米棒形貌的聚集体转为大量纳米粒子.单个粒子的高分辨电镜显示出该纳米粒子的单晶结构.并且晶面间距约为0.366nm,与纯氟化镧六角相[002]晶面相一致.样品在300℃退火30min后的透射电镜照片显示纳米粒子的平均直径大约为35nm,这与XRD结果相吻合.并且,这些纳米粒子表现出了良好的单分散性,并且在978nm二极管激发下,纳米粒子呈现出亮蓝色上转换发光,这种上转换荧光粉在光电子或生物检测中有潜在的应用前景.     

金属纳米线应力分布特征的原子级模拟研究

运用分子静力学方法结合量子修正Sutten-Chen多体力场研究了Ni纳米线在平衡状态下的应力分布特征,考虑了三种不同取向的纳米线,即轴线方向分别沿［100］,［110］和［111］方向的纳米线.计算的结果表明：由于表面张应力的作用,纳米线在弛豫过程中沿轴线方向长度发生收缩;纳米线从表面向中心区域呈现出由张应力向压应力连续分布的特征.随着纳米线直径的增加,纳米线的表面区域的张应力先上升,然后略有下降,并趋向一个非零的常值;而中心区域的应力则属于压应力,其值随着直径的增加显著地减小,并趋向于零值.无论是轴向 关键词： 纳米线 应力分布 分子静力学     

STM characterisation of organic molecules on H-terminated Si(111)

We present the first high resolution STM images of organic molecules on the technological important hydrogen terminated silicon surface. Ordered layers of PTCDA and PTCDI were prepared on this surface by organic molecular beam epitaxy. The submolecular contrast of these molecules on Si(111)/H obtained in the high resolution images agrees with the corresponding images on HOPG and MoS₂ substrates.     

Relaxation effects and thermal vibrations in a Pt(111) surface measured by medium energy ion scattering

Medium energy ion scattering, in conjunction with channeling and blocking has been applied to search for differences in the planar spacing of the first two layers of a Pt(111) crystal surface as compared to the spacing in the bulk. We find a small expansion of 1.5 ± 1%. The measurements have yielded a value for the transverse rms thermal vibration amplitude of a surface atom relative to its neighbour along the [001] direction and likewise for the [110] axis. The results are giving evidence for an enhanced amplitude for the surface atom perpendicular to the surface. A strong blocking effect has been observed along the [110] axis, which may be due to correlation effects, although the role of surface defects cannot be ruled out.     

Synthesis and structural investigation of Pd/Ag bimetallic nanoparticles prepared by the solvothermal method

Pd/Ag bimetallic nanoparticles have been synthesized successfully by reducing PdCl₂ and AgNO₃ mixture in ethylene glycol solution using the solvothermal method. The prepared samples have been characterized by UV–vis, XRD, TEM, HRTEM, EDS, and XPS, respectively. Moreover, the bimetallic particles possess alloy and core-shell structure from the HRTEM images. Here, the lattice fringe spacing of Pd/Ag bimetallic nanoparticles corresponds to its (111) plane, which is between that of the Pd and Ag nanoparticles prepared under the same conditions. Furthermore, the possible formation mechanism and factors influencing the formation of Pd/Ag bimetallic nanoparticles, such as reaction temperature and time, have also been investigated.     

HRTEM image contrast of short range order in Ni4Mo

The high resolution transmission electron microscope (HRTEM) imaging of short range order (SRO) in Ni4Mo was investigated by means of multi-slice image simulations. The HRTEM images of Ni4Mo exhibit locally bright dot patterns corresponding to the [001] projections of the N2M2-type (chalcopyrite-like) structure. The multi-slice simulations revealed that the N2M2 patterns are rationalized as the projection patterns of the SRO structure which consists of subunit cell clusters of D1a, D022 and Pt2Mo structures. The N2M2-type image contrast appears when both the fundamental fcc lattice reflections and the 1 1/2 0 diffuse scattering of SRO contribute enough to imaging. This suggests that a good coincidence in intensity distribution between the Fourier power spectra of HRTEM images and the electron diffraction patterns is one of the conditions for the image contrast of SRO to be interpreted in terms of the projection contrast.     

Synthesis and Structure of Magnetic Core-shell Ni–Ce Nanocomposite Particles

A new type of magnetic core-shell Ni–Ce nanocomposite particles (15–50 nm) is presented. SEM observations suggest the particles are strongly ferromagnetic, interacting with ordered chain-like features. Typical HR-TEM images demonstrate that many planar defects (nanotwins and stacking faults) exist in the surface shell and large Ni core zone (10–40 nm) of the particles; the inner shell layers (4–6 nm) consist of NiCe alloy and the outermost shell is NiO. Nano-diffraction patterns show an indication of well-defined spots characteristic of nanocomposite materials, of which certain crystal facet orientation relationships between orthorhombic [111] of NiCe and cubic [311] of Ni₂Ce, face-center crystal [222] of NiO, cubic [111] of nickel have been identified. This confirms the nature of this core-shell nanocomposite particle.     

The absolute amplitude of the de Haas van Alphen effect in nickel

Measurements are reported for the absolute amplitude of the de Haas-van Alphen effect due to the neck in the FS of nickel along [111] using the field modulation technique. The results show that the amplitude can be adequately calculated using the Lifshitz-Kosevich theory, independent of the conduction electron g-factor.     

Mechanical behavior of silicon carbide nanoparticles under uniaxial compression

The mechanical behavior of SiC nanoparticles under uniaxial compression was investigated using an atomic-level compression simulation technique. The results revealed that the mechanical deformation of SiC nanocrystals is highly dependent on compression orientation, particle size, and temperature. A structural transformation from the original zinc-blende to a rock-salt phase is identified for SiC nanoparticles compressed along the [001] direction at low temperature. However, the rock-salt phase is not observed for SiC nanoparticles compressed along the [110] and [111] directions irrespective of size and temperature. The high-pressure-generated rock-salt phase strongly affects the mechanical behavior of the nanoparticles, including their hardness and deformation process. The hardness of [001]-compressed nanoparticles decreases monotonically as their size increases, different from that of [110] and [111]-compressed nanoparticles, which reaches a maximal value at a critical size and then decreases. Additionally, a temperature-dependent mechanical response was observed for all simulated SiC nanoparticles regardless of compression orientation and size. Interestingly, the hardness of SiC nanocrystals with a diameter of 8 nm compressed in [001]-orientation undergoes a steep decrease at 0.1–200 K and then a gradual decline from 250 to 1500 K. This trend can be attributed to different deformation mechanisms related to phase transformation and dislocations. Our results will be useful for practical applications of SiC nanoparticles under high pressure.     

Surface‐enhanced Raman scattering on silver dendrite with different growth directions

A simple and cost‐effective strategy was developed to synthesize Ag dendrites via an aqueous chemical route based on spontaneous galvanic displacement between silver (I) ions and copper foil under hydrothermal condition. Ag dendrites with [100], [110], and [111] growth direction can be prepared by adjusting the content of polyvinyl pyrrolidone. The Ag dendrites exhibited fine and well reproducible surface‐enhanced Raman scattering effect using Rhodamine 6G as model molecule. There is a corresponding relation between the false color plot of Raman intensity and the dendrite morphology. Among the products, the Ag dendrites growing along [100] direction have the best surface enhancement ability, and a possible explanation was proposed. The results might open up new thinking on surface‐enhanced Raman scattering by proper crystal growth and design. Copyright © 2011 John Wiley & Sons, Ltd.     

Determination of the crystal structure of U6Fe5Al8Si9 by electron crystallography

The crystal structure of U₆Fe₅Al₈Si₉ was re-determined by electron crystallography, using selected area electron diffraction (SAED) and high resolution (HRTEM) images, taken along the [0 0 1] direction. The obtained results are very similar to those found previously by X-ray powder diffraction. The differences between the atomic positions found by SAED and HRTEM images and those found by X-ray powder diffraction were 0.11 and 0.08 Å, respectively.     

Imaging of atomic-scale structure of oxide surfaces and adsorbed molecules by noncontact atomic force microscopy

Atom-resolved images of a TiO₂(110)-(1×1) surface and individual formate and acetate ions adsorbed on the surface were obtained by noncontact atomic force microscopy (NC-AFM) in ultrahigh vacuum. In contrast to previous scanning tunneling microscopic studies imaging five-fold coordinated Ti atoms, outermost atoms of bridge-bound oxygen ridges of the surface were resolved as protruding rows by NC-AFM. High-resolution image of the surface revealed that the bridging oxygen atoms on terraces ordered in a (1×1) periodicity. Randomly distributed point and multiple defects of oxygen atoms were also imaged as dark spots. The (2×1) overlayer of formate and acetate ions were resolved as ordered bright spots. Dispersed formate ions at a low coverage were also observed as bright spots between the bridging oxygen ridges along the [001] direction.     

Quantum oscillations in p-type inversion layers of (111) and (100) silicon field effect transistors

For the first time Shubnikov-de Haas oscillations have been observed in p-type inversion layers of (111) and (100) silicon field effect transistors. For both orientations a single electric subband was found. The effective mass of the surface carriers was determined from the temperature dependence of the oscillations, for (111) surfaces as a function of the surface electric field. At low gate voltages spin splitting of the Landau levels was resolved.     

An angle-scanned photoelectron diffraction (XPD) study of the growth and structure of ultrathin Fe films on Au(001)

We report a study of the growth and structure of Fe films on Au(001) at room temperature using angle-resolved photoelectron spectroscopy (ARXPS, AlK) and polar-scan photoelectron diffraction (XPD, AlK), exploiting the forward scattering (FS) enhancement of photoelectrons along atomic chains. The structure of the Fe 3p and 2p XPD polar diagrams and the development of the FS features with film growth evidence that Fe grows pseudomorphically in a nearly perfect layer-by-layer mode with bcc (001) structure rotated by 45° about the surface normal. At least up to 4 and probably up to 6 monolayers Fe, a segregated Au monolayer (surfactant layer) exists on top of the Fe film. This follows from the comparison of a simple model for the development of the substrate and film FS enhancements with the experimental data. By using angular shifts of the Fe 3p and Fe 2p bcc-[111] and bcc-[101] FS peaks we could determine the Au(on top)---Fe and Fe---Fe interlayer distances for 1 and 2 ML thick films to be 1.71(0.04) Å and 1.48(0.08) Å, respectively, showing that very thin films have a slightly expanded bcc structure (bct). The regular bcc angle positions are observed above 4–6 ML.     

Steps, ledges and kinks on the surfaces of platinum nanoparticles of different shapes

Platinum nanoparticles with a high percentage of cubic-, tetrahedral- and octahedral-like shapes, respectively, have been synthesized by a shape-controlling technique that we developed recently [Ahmadi et al., Science 272 (June 1996) 1924]. High resolution transmission electron microscopy (HRTEM) is used here to directly image the atomic scale structures of the surfaces of these particles with different shapes. The truncated shapes of these particles are mainly defined by the {100}, {111}, and {110} facets, on which numerous atom-high surface steps, ledges and kinds have been observed. This atomic-scale fine structure of the surfaces of these particles is expected to play a critical role in their catalytic activity and selectivity.     

Die Kantenstreifung im elektronenmikroskopischen Bild würfelförmiger MgO-Kristalle bei Durchstrahlung in Richtung der Raumdiagonale

In electron microscope images of MgO crystals orientated with their {111} lattice planes normal to the direction of the incident electron beam a sine-forme periodicity of fringe structure parallel to the crystal edges is mostly observed. This simple fringe structure cannot generally be expected since six strong diffractions (¯202), (0¯22) etc. are simultaneously excited. — In such micrographs spacing and contrast of the fringes vary strongly while from the projection images of the crystals there are no remarkable differences in crystal orientations. For this case, the region near the [111]-direction of incidence, the fringe structure was theoretically investigated by Eigenvalue method and Bethe approximation. In exact [111] direction, only two wave fields exist which produce sinusoidal fringes. Small deviations from the [111] direction keep the two wave fields prevailing, the fringe structure remaining nearly sinusoidal, but induce strong variation of spacing and contrast. The theoretical results are in qualitative agreement with the observed fringes of micrographs, but are not yet suitable for quantitative comparison because of the considerable aperture of illumination (10^?3), used in the observation.