Diffusions of small clusters on Pt(1 1 1) and Cu(1 1 1) surfaces

Diffusions of small cluster Pt₆ on Pt(1 1 1) surface and Cu₆ on Cu(1 1 1) are studied by molecular dynamics simulation, respectively. The atomic interaction is modeled by the semiempirical potential. The results show that the diffusion processes in the two systems are far different. For example, on Pt(1 1 1) surface, the hopping of single atom and the shearing of two atoms of hexamer only occur on the adatom(s) adsorbed at B-step, while on Cu(1 1 1) surface they can appear on the adatom(s) either at A-step or B-step. To the concerted translation of the parallelogram hexamer, the anisotropy in the diffusion path is observed in the two systems, the mechanisms and then the preferential paths, however, are completely different. The reasons for these diffusion characteristics and differences are discussed.     

One-dimensional integral imaging based on parallax barrier

One-dimensional integral imaging (1DII) which only has horizontal disparity is a practical solution of high resolution in the vertical direction, low-cost, easy-viewable three-dimensional (3D) display. A 1DII based on a parallax barrier is proposed in this paper. The 1DII consists of a parallax barrier and a display panel. The operation principle and parameter calculation of the 1DII are described in detail. Two prototypes of the proposed 1DII and conventional 1DII based on a lenticular lens array are developed. The proposed 1DII improves the quality of the 3D image and provides larger viewing angle than that based on a lenticular lens array, and it is simpler and has lower cost than that based on a lenticular lens array.     

Influence of substrate misorientation and growth temperature on N incorporation in InGaAsN/GaAs quantum wells grown on (1 1 1)B GaAs

In this work, the effects of the substrate misorientation in the nitrogen incorporation in InGaAsN (1 1 1)B p–i–n diode structures grown by molecular beam epitaxy are discussed. The (1 1 1)B surfaces misoriented towards [2–1–1] are found to be more suitable to enhance the optical quality of the samples. We also found that the nitrogen incorporation is highly dependent on the growth temperature as well as on the V–III flux ratio. In addition to this, the optical properties and crystal quality of these structures depend strongly on the nitrogen content, as in the case of similar samples grown on (1 0 0) surfaces. High nitrogen contents (up to 3%) in InGaAsN layers grown on two different misoriented (1 1 1)B GaAs substrates are reported. Besides, low-temperature photoluminescence emission wavelengths longer than 1.4 μm are achieved using (1 1 1)B misoriented substrates.     

Electron dynamics in H/Na/Cu(1 1 1) collisions

Surface adsorbates induce strong local perturbations in the electronic structure and potentials in their surroundings. Consequently, charge transfer processes between projectiles and adsorbate-covered surfaces are strongly affected. The theoretical calculations and experiment measurements reported herein are focused on the H⁻/Na/Cu(1 1 1) system. The electron dynamics at the Na/Cu(1 1 1) surface and the influence of Na adsorbates on the H⁻-Cu(1 1 1) charge transfer are treated and discussed in detail. The ion fractions are mainly influenced by the ion exit trajectories. At low Na coverage, they exhibit a maximum near the 60° exit angle from surface. The calculations and experimental data are in good agreement.     

电解法制备纳米溴化银溶胶及其SERS活性研究

将一定量的十六烷基三甲基溴化铵溶于500 mL去离子水中作为电解液,用直径为1.0 cm、长为10.0 cm银棒分别作为阴及阳电极,加上7 V直流电压,通电 3 h,用电解方法得到了乳白色的纳米溴化银溶胶。用吸收光谱、对该进行研究。其吸收峰为292.5 nm, 透射式电镜表明纳米溴化银粒径分布在一个较大的范围,既有大小不一的球形粒子,也有大小不一的椭球形粒子,部分粒子产生了凝聚。为测试该纳米溴化银溶胶是否具有表面增强拉曼散射(SERS)活性,选用了阳离子型分子甲基橙(Methyl orange)、中性分子苏丹红(Sudan red)及吡啶(Pyridine)作为测试分子,用二次去离子水配成适当浓度后,与纳米溴化银溶胶按1∶1的比例混合后,置入毛细管样品池中用Renishaw 2000测定,激发波长514.5 nm。结果发现电解法制备的纳米溴化银对这三种分子都具有较强的SERS活性,甲基橙中明显增强的峰是1 123,1 146,1 392,1 448,1 594 cm-1;苏丹红中明显增强的峰是1 141,1 179,1 433,1 590 cm-1;吡啶中明显增强的峰是1 003,1 034,1 121 cm-1。值得注意的是在该方法制备的纳米溴化银上,得到了在常规方法制备的黄银胶、灰银胶上得不到的甲基橙分子的SERS谱,对可能的原因进行了讨论。     

Simulation of the lattice dynamics of an Al-Cu-Fe icosahedral quasicrystal

The total and partial vibrational spectra of aluminum, copper, and iron atoms in an Al-Cu-Fe icosahedral quasicrystal are calculated by the recursive method. The calculations are based on the 1/1 crystal approximant. The interaction of atoms in the Al-Cu-Fe quasicrystal is described within the EAM model. The calculated spectra are in satisfactory agreement with the experimental data on neutron inelastic scattering.     

A CLUSTER MODEL METHOD AND ITS APPLICATIONS TO CHEMISORPTIONS ON SEMICONDUCTOR SURFACES

In the present paper the cluster model and charge self-consistent method are used to study the chemisorpti on Si(lll1), Ge(111), and GaAs(110) surfaces. The parameters in the calculations are selected to fit the respective bulk energy bands of Si, Ge, and GaAs. Some general rules of chemisorpti on Si(ll1) and Ge(ll1) are investigated and speculated. The three-fold hollow site geometry is favorable for group iii metals on Si(lll), whereas the one-fold top site is more stable for group vii elements, the reason being probably one of the favorable charge distribution. However, the situation for chemisorpti on Ge(ll1) is somewhat different. The adsorptions of group iii and v elements on GaAs(110) are also considered. The possible chemisorption geometries and the related electronic states for these systems are calculated and discussed.     

Two-parameter families of strange attractors

Periodically driven two-dimensional nonlinear oscillators can generate strange attractors that are periodic. These attractors are mapped in a locally 1-1 way to entire families of strange attractors that are indexed by a pair of relatively prime integers (n(1),n(2)), with n(1)>/=1. The integers are introduced by imposing periodic boundary conditions on the entire strange attractor rather than individual trajectories in the attractor. The torsion and energy integrals for members of this two parameter family of locally identical strange attractors depend smoothly on these integers.     

Accumulation effect of SiO_2 protective layer on multi-shot laser-induced damage in high-reflectivity HfO_2/SiO_2 coatings

The accumulation effects in high-reflectivity(HR) HfO2/SiO2 coatings under laser irradiation are investigated.The HR HfO2/SiO2 coatings are prepared by electron beam evaporation at 1 064 nm.The laser-induced damage threshold(LIDT) are measured at 1 064 nm and at a pulse duration of 12 ns,in 1-on-1 and S-on-1 modes.Multi-shot LIDT is lower than single-shot LIDT.The laser-induced and native defects play an important role in the multi-shot mode.A correlative theory model based on critical conduction band electron density is constructed to elucidate the experimental phenomena.     

电火花声源的某些特性

文中给出了电火花声源的压力波形及其频谱图，着重讨论了储能与压力波峰值P1m,和半峰值之间P1m/2的时间t1之间的关系，以及刚性圆筒内放电时边界对P1m和t1的影响。     

Bragg光纤包层制作误差对导模特性的影响

对Bragg光纤中包层制造误差对导模特性的影响进行了深入的分析和研究,给出了一般N层波导中模式场标量波动方程求解的传输矩阵方法,并将其应用在Bragg光纤模式场的分析当中。分别研究了Bragg包层存在折射率误差和厚度误差时对光纤基模模式场的有效折射率、模场半径和芯区功率占比的影响,并利用统计的方法分析了不同制作误差时导模特性的相对变化。折射率误差在1‰的水平时,基模有效折射率、模场半径和芯区功率占比的方差水平为1.55×10~(-4)、1.04×10~(-1)和1.79×10~(-2);厚度误差在2%的水平时模式场参量的方差水平分别为3.61×10~(-5)、1.84×10~(-2)和2.35×10~(-3)。     

Low-temperature and ambient-pressure synthesis and shape evolution of nanocrystalline pure, La-doped and Gd-doped CeO2

Nanocrystalline cuboidal ceria has been synthesized by low-temperature hydrothermal reaction of cerium nitrate hexahydrate with hexamethylene tetramine. The particles have been doped with La and Gd by adding aqueous solution of the nitrate salts of the metals to the reaction mixture. The pure and doped particles are cubic in crystal structure and 10-25 nm in size. The pure and La-doped ceria are cuboidal in morphology, whereas the Gd-doped particles are irregular in shape. High-resolution TEM imaging and image simulation indicates that atomic level steps are present on the particle surfaces. The particles are faceted parallel to the {1 1 1} and {1 0 0} crystallographic planes and a continuous switching takes place between the two possible surface facets. It appears that the surface energies of the {1 1 1} and {1 0 0} facets are quite similar in magnitude and the interplay of surface energy determines the particle shape. Chemically sensitive imaging and spectroscopy shows that the dopants are homogeneously distributed within the particles and that the oxidation state of Ce is a mixture of +3 and +4. No preferential segregation either of the dopant or the oxidation state was observed. However, since the facet switching does depend on the chemistry of the dopant, there must be an affect on the atomic scale.     

基于压缩感知的欠定源信号恢复算法比较

构建了基于压缩感知的欠定盲源分离源信号恢复模型,比较研究了基于互补匹配追踪算法(CMP)、基于L1范数的互补匹配追踪算法(L1CMP)和基于修正牛顿的径向基函数算法(NRASR)实现欠定源信号恢复的应用效果。结果表明:源信号时域充分稀疏情况下,CMP,L1CMP和NRASR的恢复效果接近,但L1CMP算法计算复杂度最低;变换域充分稀疏情况下,CMP和L1CMP恢复效果接近,NRASR恢复效果较差;时域非充分稀疏情况下,CMP效果较差,L1CMP和NRASR效果接近。综合考虑,L1CMP算法效果最佳;在观测信号数和源数较少的情况下,算法在时域恢复信号精度会下降;稀疏表示法结合压缩感知重构能够提高源信号恢复的效果。     

Spin-1 pyrochlore antiferromagnets: Theory,model, and materials’ survey

Pyrochlore magnets can be a unique platform to demonstrate numerous important concepts and applications of frustrated magnetic physics in modern condensed matter physics. Most works on pyrochlore magnets deal with the interacting spin-1/2 local moments, while much less works have studied the spin-1 systems. We here review the physics with interacting spin-1 local moments on the pyrochlore lattice to illustrate the potentially interesting physics associated with spin-1 magnets. The generic pyrochlore spin-1 model includes the antiferromagnetic Heisenberg interaction, the Dzyaloshinskii– Moriya interaction and the single-ion spin anisotropy. The global phase diagram of this generic spin model is reviewed, and the relation between different quantum phases in the phase diagram is clarified. The critical properties of the transition from the parent quantum paramagnet to the proximate orders are discussed. The presence of quantum order by disorder in the parts of the ordered phases is analyzed. The elementary excitations with respect to the ground states are further reviewed, and the topological natures of these excitations are carefully addressed. The materials’ relevance of the spin-1 pyrochlore magnets are finally reviewed. This review may provide insights about the interesting spin-1 local moments on frustrated systems.     

常见翡翠产地的激光拉曼光谱特征研究

缅甸是商业性翡翠主要产地,危地马拉、俄罗斯也有翡翠产出。不同产地的翡翠价值差异较大,其他产地的翡翠冒充缅甸翡翠以获取价格上涨。迫切需要一种可靠方法来确定地理起源,翡翠的产地研究具有重要的宝石学意义,目前主要在翡翠生成时代、矿物组合、硬玉组分含量等方面探讨不同产地翡翠,缺乏快速有效鉴别产地的方法,以缅甸、俄罗斯、危地马拉翡翠为研究对象,对不同产地翡翠样品的激光拉曼光谱特征研究发现：缅甸翡翠矿物为硬玉、绿辉石、透闪石;危地马拉翡翠矿物相对复杂,为硬玉、绿辉石、绿泥石、榍石;俄罗斯翡翠矿物为硬玉、钠长石、绿辉石。对比不同产地硬玉矿物拉曼特征发现,缅甸翡翠硬玉矿物分别在1 037,988,697,372和201 cm-1等处显示硬玉的典型光谱特征。在1 020,679,369和216 cm-1处附近显示为绿辉石特征拉曼峰,在215,332,394,680和1 073 cm-1 处有明显透闪石吸收峰,为翡翠中的次生矿物。危地马拉翡翠硬玉矿物多叠加680和218 cm-1拉曼峰值,为绿辉石特征的峰值,还含有603,537和306 cm-1附近绿泥石特征拉曼光谱峰值,表明危地马拉翡翠硬玉矿物多被Fe,Mg和Ca元素的类质同像替换,形成硬玉-绿辉石固溶体矿物,硬玉矿物表面检测出603,537和306 cm-1绿泥石特征拉曼光谱峰值,硬玉矿物表面发生绿泥石蚀变。俄罗斯翡翠硬玉拉曼峰值,多叠加1 100,507,473和164 cm-1附近钠长石特征拉曼峰值,俄罗斯翡翠硬玉颗粒普遍被钠长石交代,表面多分布灰绿色网脉,显示1 025,669,366和219 cm-1绿辉石矿物拉曼峰值。     

Growth of thin, crystalline oxide, nitride and oxynitride films on metal and metal alloy surfaces

This paper reviews the current knowledge of the properties of ultrathin, well-ordered oxide, nitride and oxynitride films grown on metal and metal alloy surfaces. Different modes of preparation are discussed and the vibrational and structural properties are summarized. The focus will be put onto Al-oxides grown on surfaces of the intermetallic alloys NiAl, Ni₃Al and FeAl. The properties of Ga₂O₃ grown on surfaces of the intermetallic alloy CoGa are also described. In these cases Al- and Ga-atoms, respectively, segregate from the substrate and react with adsorbed oxygen. The grown Al- and Ga-oxide films, respectively, order at elevated temperatures. Systems are also discussed where Al-oxide is grown by oxidation of Al-atoms which are evaporated on surfaces of the transition metals Re and Ru. The growth of transition metal oxides CoO (1 1 1)/Co (0 0 0 1), CoO (1 0 0)/Co (1 1 2 0), NiO (1 0 0)/Ni (1 0 0), NiO/Ni (1 1 1) and Cr₂O₃/Cr (1 1 0) are also presented. Thin films of Al- and Ga-nitride, respectively, can be grown on the base of the intermetallic alloy NiAl and CoGa by low-temperature adsorption of ammonia. These nitride films order at elevated temperatures. Al- and Ga-oxynitride, respectively, can be grown on surfaces of NiAl and CoGa substrates by adsorption on nitric oxide. An ordering of these ultrathin oxynitride layers is observed at elevated temperatures.     

A DFT investigation of potential energy surface and vibrational properties of hydrogen adsorbed on the Rh(1 1 1) surface

Vibrational properties of hydrogen on the Rh(1 1 1) surface have been investigated theoretically. The potential energy surface for this system has been calculated within the density functional theory. The potential is found to be very anharmonic. The wave functions and their energies for the hydrogen motion on the potential energy surface (PES) have been calculated and assigned by using discrete variable representation. It was found that the vibrational wave function is localized at hollow site in the ground state for hydrogen on Rh(1 1 1). Higher excited states are of delocalized nature and mixed parallel and perpendicular character. Our results are in good agreement with the observed vibrational spectra of hydrogen on the Rh(1 1 1) surface.     

The adsorption and dissociation of O2 molecular precursors on Cu: the effect of steps

The adsorption and dissociation of dioxygen on Cu steps are studied using periodic self-consistent density functional theory (PW91-GGA) calculations. Cu steps are modeled with a Cu(2 1 1) surface. The results are compared with those on the flat Cu(1 1 1) surface. The adsorption of both atomic and molecular oxygen is enhanced on the stepped surface: the binding energy of atomic oxygen is −4.5 eV at its preferred site on the relaxed Cu(2 1 1) surface vs. −4.3 eV at its preferred site on the relaxed Cu(1 1 1) surface, and the binding energy of the molecular oxygen precursor is increased from ∼−0.6 to ∼−1.0 eV. Several possible O₂ dissociation paths at the edge of the Cu(2 1 1) step have been investigated. The activation energies range from 0.09 to 0.24 eV, comparable to a minimum activation energy of 0.20 eV found on Cu(1 1 1). However, compared to Cu(1 1 1) the paths on Cu(2 1 1) are stabilized in their entirety by the step by ∼0.5 eV in terms of initial state, transition state, and final state energies. The dissociation of O₂ precursors at the foot of the step is close to being barrier-less. Because of the small dissociation barrier on Cu(1 1 1), the effect of steps on O₂ dissociation is nevertheless not expected to be as pronounced as in other gas/metal systems.     

A model of the cathode spot glow discharge for a cathode withinclusions of low work function material

A model that describes the self-maintained glow discharge for a composite cathode in which cathode spots are formed on low work function material inclusions is presented. Based on this model, expressions are obtained for the radius of the spot, the cathode voltage, and the spot current as functions of Pd (where P is the gas pressure and d is the thickness of the cathode layer), the parameters of the inclusions, and the basic material matrix are obtained. Numerical results for the case of a glow discharge in 75 torr neon gas with a copper cathode matrix and inclusions of LaB₆ are presented. The average radii of inclusions were 0.05 and 0.015 mm. Conditions under which the glow discharge migrates from the inclusions and begins to spread onto the surface of the basic matrix are obtained. The transition of the glow discharge into a contracted state, depending on the structure of the composite material, is also considered     

70As(β++EC)衰变到70Ge的低自旋激发态(英文)

通过70As的放射性衰变研究了70Ge的激发态,新发现能量为1 036.99,1 196.66,1 539.29和2 531.7 keV的四条新γ射线,重新确认了2 219.34 keV γ射线的跃迁位置,新确认496.74,1 295.24和1 417.24 keV这三条γ射线首次放入衰变纲图,本工作证实了1 881.67,2 325.42和2 424.41 keV γ射线的跃迁位置,建议了能量为4 243.10和5 265.81 keV的两个新能级,建立了新的衰变纲图,基于比较半衰期和γ跃迁分支比建议了一些能级的自旋-宇称。The excited states of the 70Ge nucleus are investigated in radioactive decay of the 70As. Four new transitions with 1 036.99, 1 196.66, 1 539.29 and 2 531.7 keV are found for the first time. The position of 2 219.34 keV transition are reassigned, the transition positions of 496.74, 1 295.24 and 1 417.24 keV γ-rays are assigned for the first time, and the placements of 1 881.67, 2 325.42 and 2 424.41 keV γ-rays are confirmed in the present work. Two new levels, at 4 243.10 and 5 265.81 keV excitation energy, respectively, are proposed. The decay scheme is established and for a number of levels spin-parity assignments are suggested on the basis of logft values and γ-branching ratios.