Laser short pulse heating of metal nano-wires

Non-equilibrium energy transfer takes place in a solid substrate during a short-pulse laser irradiation and temperature field can be obtained analytically in the irradiated region. In the present study, laser short-pulse heating of metal nano-wire is considered and the analytical solution for two-dimensional axisymmetric nano-wire is presented. Since the absorption of the incident beam takes place in the skin of the irradiated surface, a volumetric heat source resembling the absorption process is incorporated in the analysis. Three different nano-wire materials are introduced in the analysis for the comparison reason. These include silver, chromium, and copper. It is found that temperature decay is gradual on the surface vicinity and temporal variation of the surface temperature follows almost the laser pulse intensity profile at the irradiated center.     

Material dependence of spin transport modulated by magnetic barriers in semiconductor nano-wires

We present the properties of ballistic spin transport through magnetic barrier structures in semiconductor nano-wires. The Landauer's approach is adopted to calculation of the transmission probability and the conductance for various host material nano-wires which are different remarkably from each other in effective g-factors. A host material having small effective g-factor is quantized in the conductance and the spin-dependence is disappeared in it. Nevertheless this kind of behavior is broken for the host material having large effective g-factor and the spin-dependent splitting is shown.     

Interaction of dopant atoms with stacking faults in silicon

The width of a stacking fault ribbon bound by a pair of partial dislocations in silicon crystals was unchanged when boron and gallium atoms of p-type dopant were agglomerated nearby the ribbon by annealing, even though the width increased when n-type dopant atoms were agglomerated as previously reported [Y. Ohno, Y. Tokumoto, I. Yonenaga, Thin Solid Films, accepted for publication]. The origin of the width-increase in n-type crystals was proposed as the reduction of the stacking fault energy, from 58±5 down to 46±5 mJ/m², due to an electronic interaction between the ribbon and the n-type dopant atoms, and the interaction energy was estimated to be 0.15±0.05 eV. On the other hand, the interaction of p-type dopant atoms with stacking faults was not detected.     

Electronic structure of twinned ZnS nanowire

The electronic properties of twinned ZnS nanowires （NWs） with different diameters were investigated based on first-principles calculations. The energy band structures, projected density of states and the spatial distributions of the bottom of conduction band and the top of the valence band were presented. The results show that the twinned nanowires exhibit a semiconducting character and the band gap decreases with increasing nanowire diameter due to quantum confinement effects. The valence band maximum and conduction band minimum originate mainly from the S-p and Zn-s orbitals at the core of the nanowires, respectively, which was confirmed by their spatial charge density distribution. We also found that no heterostructure is formed in the twinned ZnS NWs since the valence band maximum and conduction band minimum states are distributed along the NW axis uniformly. We suggest that the hexagonal （2H） stacking inside the cubic （3C） stacking has no effect on the electronic properties of thin ZnS NWs.     

Thickness dependent stripe structure stability of Ag films on Si(1 1 1)-(4 × 1)-In substrate

The thickness dependent stripe structure stabilization of Ag films on Si(1 1 1)-(4 × 1)-In substrate is thermodynamically considered. It is found that for the stability of the structure, there is a competition between the sum of elastic energy and stacking fault energy in the film and the film-substrate interface energy. The presence of equilibrium of them leads to a critical film thickness. Beyond it, the stripe structure will transform into a flat one. Our prediction for n_c of Ag films shows reasonable agreement with experimental data. In addition, according to the established model, it is predicted that Au could also form the above stripe structure on this substrate with a similar n_c value of Ag.     

Electronic structure of twinned ZnS nanowires

The electronic properties of twinned ZnS nanowires (NWs) with different diameters were investigated based on first-principles calculations. The energy band structures, projected density of states and the spatial distributions of the bottom of conduction band and the top of the valence band were presented. The results show that the twinned nanowires exhibit a semiconducting character and the band gap decreases with increasing nanowire diameter due to quantum confinement effects. The valence band maximum and conduction band minimum originate mainly from the S-p and Zn-s orbitals at the core of the nanowires, respectively, which was confirmed by their spatial charge density distribution. We also found that no heterostructure is formed in the twinned ZnS NWs since the valence band maximum and conduction band minimum states are distributed along the NW axis uniformly. We suggest that the hexagonal (2H) stacking inside the cubic (3C) stacking has no effect on the electronic properties of thin ZnS NWs.     

The influence of the electron structure into the stacking fault energy of noble metals

The study of the electron structure of Ag, Au and Cu transition metals by EELS shows that the greatest electron concentration in conduction band observes in Ag and decreases through Au to Cu. At the same time the fraction of free-electron in conduction band of Ag is less than 0.2 while this value is about of 0.5 for Au and more than 0.6 for Cu. Thus the electron system of these elements consists from high-energy free-electron and low-energy nearly free-electron subsystems. The SFE of Ag, Au and Cu increases with increasing free-electron fraction in electron system of these metals. The explanation of this phenomenon was discussed in the frame of electron theory of metals.     

The procedure in solving the structure of some twinned crystals

Difficulties in solving the crystal structure of substances which crystallize as twins are discussed. The procedure used in certain special cases of twinning is demonstrated on two examples.     

Photothermal waves in a periodically modulated structure

The generation of thermal waves in a one-dimensional structure with a sinusoidal variation in thermal diffusivity can be described by an inhomogeneous Mathieu equation. An exact solution to the frequency-domain Mathieu equation can be found by using a variation of parameters method to give the alternating component of the temperature along the structure. From the theory of Mathieu functions a dispersion relation for the thermal waves is found, which does not display band gaps, but which shows damping that departs from that for thermal waves in a uniform medium.     

Direct or indirect semiconductor: The role of stacking fault in h-BN

Electronic properties of hexagonal boron nitride (h-BN) with stacking fault have been systematically studied using the first-principles method. The formation energy of a single layer stacking fault in five typical stacking h-BN (AA, AB, AD, AE and AF) ranges from −58 to 55 meV, which indicates that the stacking fault can be easily introduced into the material. Amazingly, we find that as long as AA, AB, AD and AF stacking h-BN with AE-liked stacking fault they are similar to AE stacking with or without stacking fault behaving as quasi-direct or direct semiconductor. We predict that the AE-liked stacking sequence may be the primary reason for the inconsistency between theoretical and experimental reports according to the type of the band gap of h-BN.     

Surface effect on the GSF energy of Al

The second-nearest-neighbor modified embedded atom method (2NN-MEAM) is used to calculate the generalized stacking fault (GSF) energy for (1 1 1) surface of Al crystal. It is found that the GSF energy curve is much lower for the fault in the first layer of the (1 1 1) surface than that in the bulk. When the fault exists in the second layer, the energy curve becomes considerably on the verge of that in the bulk. With a much lower unstable stacking fault energy γ_usf, the dislocation should be easier to set on at the outermost of the free surface. Expansion in relaxation always exists for the stacking fault either in bulk or near the surface and the GSF energy increases with the vertical expansion.     

A model of structure periodically modulated in three dimensions

A model of structure periodically modulated in three dimensions is calculated in the presented paper and applied to the alloy Cu₈₀Au₂₀. The existence and intensity of the side-bands of the Bragg lines appearing with hyperstructural lines on films of this alloy after heating to temperature on the border of the order-disorder transformation are explained by means of the given model and the value of the period of sinusoidal variation of the lattice parameter and scattering power is calculated.ikova 22, Brno, Czechoslovakia.The author thanks Mrs. V. Gregor and Mr. M. Jelínek who prepared the necessary pictures.     

Single-electron tunneling in silicon-on-insulator nano-wire transistors

The gate bias dependent evolution of the Coulomb oscillations in a silicon-on-insulator nano-wire transistor is reported. Transport data obtained for a wide range of front- and back-gate bias strongly suggest that multiple quantum dots (QDs) with different potential depths are formed in the nano-wire channel. Our data can be clearly interpreted as arising from the turning on or off of one of these QDs as the back-gate bias is varied. Quantitative calculation based on the model of single-electron tunneling through two parallel QDs is in reasonable agreement with the measured data in the back-gate bias range where the third dot is not activated.     

Nanotwinning in CdS quantum dots

High resolution transmission electron microscopy, X-ray diffraction and photoluminescence measurements are carried out in order to study the defects in CdS quantum dots (QDs), synthesized in cubic phase by chemical co-precipitation method. The nanotwinning structures in CdS quantum dots (∼2.7 nm) are reported for the first time. Mostly CdS QDs are characterized by existence of nanotwin structures. The twinning structures are present together with stacking faults in some QDs while others exist with grain boundaries. Raman spectroscopy analysis shows intense and broad peaks corresponding to fundamental optical phonon mode (LO) and the first over tone mode (2LO) of CdS at 302 cm⁻¹ and 605 cm⁻¹ respectively. A noticeable shift is observed in Raman lines indicating the effect of phonon confinement. Fourier transform infrared spectroscopy analysis confirms the presence of Cd–S stretching bands at 661 cm⁻¹ and 706 cm⁻¹. The photoluminescence spectrum shows emission in yellow and red regions of visible spectrum. The presence of stacking faults and other defects are explained on the basis of X-rays diffraction patterns and are correlated with photoluminescence spectrum. These nanotwinning and microstructural defects are responsible for different emissions from CdS QDs.     

Molecular dynamic study of temperature dependence of mechanical properties and plastic inception of CoCrCuFeNi high-entropy alloy

Molecular dynamics simulations are performed to study mechanical characteristics and homogeneous plastic inception of CoCrCuFeNi high-entropy alloy at various temperatures under uniaxial tension. It is found that the elastic modulus and ultimate tensile strength increase with temperature decreasing. A notable softening effect is observed at the elastic deformation stage caused by the decrease of the interatomic force gradient. Extrinsic stacking faults and deformation twins are extensively observed, which are formed via intrinsic stacking faults overlap.     

Photon structure function in supersymmetric QCD revisited

We investigate the virtual photon structure function in the supersymmetric QCD (SQCD), where we have squarks and gluinos in addition to the quarks and gluons. Taking into account the heavy particle mass effects to the leading order in QCD and SQCD we evaluate the photon structure function and numerically study its behavior for the QCD and SQCD cases.     

SH-wave propagation and resonance phenomena in a periodically layered composite structure with a crack

This paper presents a dynamic analysis of time-harmonic plane SH-waves propagating in periodically multilayered elastic composites with a strip-like crack. The total wave field in the multilayered elastic structure is described as a sum of incident wave field modeled by the transfer matrix method and the scattered wave field governed by an integral representation containing the crack-opening-displacement. The integral equation derived from the boundary conditions on the crack-faces is solved numerically by a Galerkin method. The paper focuses on resonant and non-resonant regimes of anti-plane wave motion in a stack of elastic layers weakened by a single strip-like crack and wave localization in the vicinity of the crack. The scattered extra displacement induced by the presence of the crack is investigated in detail for both situations of high and low contrast in material properties. Numerical results for the average crack-opening-displacement, the transmission coefficient, the stress intensity factor and the average energy flow are presented and discussed to reveal wave resonance and localization phenomena within the band-gaps and the pass-bands.     

Unambiguous evidence for wurtzite phase in capped CdS quantum dots

The problem of identification of the correct crystalline structure of CdS nanoclusters below 2.5 nm in size is outlined. Structure of thiophenol capped CdS nanoclusters in the size range 1.2–4.3 nm, synthesized using cadmium acetate solution in methanol, is discussed using powder XRD and electron diffraction data. Unambiguous confirmation of the wurtzite phase in CdS nanoclusters below 2.5 nm size is reported. The observation of 102 wurtzite peak in the XRD patterns of such nanoclusters indicates low stacking fault concentration.     

水波在周期性钻孔底部结构中的传播及其能带

采用平面波展开法计算了浅水表面波在底部按周期性钻孔结构下的能带,找到了完全带隙的出现.通过考虑方形孔按正方晶格排列、圆形孔按正方晶格和六角晶格排列等三种钻孔模型,发现带隙的数量、宽度、频率、位置与孔的面积、形状、方位角及其排列晶格等都有关.且这些规律与光子/声子晶体的情况相类似. 关键词： 周期性 水波 能带 带隙     

Tunnelling in periodically driven systems

Tunnelling in periodically driven bistable symmetric potential wells is investigated in an analytical approximation in a domain where the driving frequency is large compared to the tunnelling frequency and only the four lowest lying levels contribute significantly. The influence of finite level widths is taken into account, and a smooth variation of the amplitude of the driving field is allowed for.