Band-structure engineering of gold atomic wires on silicon by controlled doping

We report on the systematic tuning of the electronic band structure of atomic wires by controlling the density of impurity atoms. The atomic wires are self-assembled on Si(111) by substitutional gold adsorbates and extra silicon atoms are deposited as the impurity dopants. The one-dimensional electronic band of gold atomic wires, measured by angle-resolved photoemission, changes from a fully metallic to semiconducting one with its band gap increasing above 0.3 eV along with an energy shift as a linear function of the Si dopant density. The gap opening mechanism is suggested to be related to the ordering of the impurities.     

Quintuple-period Si atomic wires with alternative double and triple modulations by metal: Mg/Si(557)

The formation of Mg-induced quasi-one-dimensional atomic wires on a Si(557) surface was studied by low energy electron diffraction (LEED), scanning tunneling microscopy (STM), and first-principles calculations. The atomic wires were produced on the Si(557) surface without faceting when heated to 330 ?C. The atomic wires had a × 5 period along the wires, as observed by LEED. STM images showed the existence of three kinds of atomic wires in a unit cell: an atomic wire located at the step edge and the others on the terrace. Interestingly, alternative double and triple modulations resulting in the × 5 period was observed at the atomic wire located at the step edge. Among the variety of atomic structure models available, the one based on a honeycomb-chain-channel model, which is that of a metal/Si(111)-(3 × 1) surface, reproduced the STM images well and was relatively stable energetically.     

The self-consistent electronic structure of rectangular free-standing quantum wires: Fourier expansion approach

A method for the self-consistent calculation of rectangular free-standing quantum wires is presented. The method is also used for the electronic structure calculation of cladded quantum wires. It relies on the wavefunction's Fourier expansion, and uses the structure symmetry to save computation time. Calculations are performed for these two types of quantum wire at a number of dopant and surface state densities, and the influence of various parameters is analyzed. At low temperatures, the occurrence of Friedel oscillations is noticed, arising from a very limited number of well separated electronic states.     

Even-odd behavior of conductance in monatomic sodium wires

With the aid of the Friedel sum rule, we perform first-principles calculations of conductances through monatomic Na wires, taking into account the sharp tip geometry and discrete atomic structure of electrodes. We find that conductances (G) depend on the number (L) of atoms in the wires; G is G(0)( = 2e(2)/h) for odd L, independent of the wire geometry, while G is generally smaller than G(0) and sensitive to the wire structure for even L. This even-odd behavior is attributed to the charge neutrality and resonant character due to the sharp tip structure. We suggest that similar even-odd behavior may appear in other monovalent atomic wires.     

Nucleation and growth of Si on Pb monolayer covered Si(111) surfaces

With a scanning tunneling microscope (STM), we study the initial stage of nucleation and growth of Si on Pb monolayer covered Si(111) surfaces. The Pb monolayer can work as a good surfactant for growth of smooth Si thin films on the Si(111) substrate. We have found that nucleation of two-dimensional (2D) Pb-covered Si islands occurs only when the substrate temperature is high enough and the Si deposition coverage is above a certain coverage. At low deposition coverages or low substrate temperatures, deposited Si atoms tend to self-assemble into a certain type of Si atomic wires, which are immobile and stable against annealing to ~ 200 °C. The Si atomic wires always appear as a double bright-line structure with a separation of ~ 9 Å between the two lines. After annealing to ~ 200 °C for a period of time, some sections of Si atomic wires may decompose, meanwhile the existing 2D Pb-covered Si islands grow laterally in size. The self-assembly of Si atomic wires indicate that single Si adatoms are mobile at the Pb-covered Si(111) surface even at room temperature. Further study of this system may reveal the detailed atomic mechanism in surfactant-mediated epitaxy.     

Dopant-pair structures segregated on a hydrogen-terminated Si(100) surface

Novel atomic structures on a H-terminated Si(100)-(2x1)-H surface were found using scanning tunneling microscopy (STM). The structures are distinguishable only from Si dimers in empty-state STM images. They were observed on arsenic- and phosphorus-doped substrates, but not on boron-doped substrates. Surface density of these structures was found to be proportional to the dopant density in the substrate. First-principles calculations clarify that they are consisting of dopant pairs that are segregated from the bulk material. Hydrogen atoms attached to the dopant pair are found to flip between two positions on the surface due to a quantum effect.     

中性原子的表面双磁光阱及其应用

提出了一种新的采用载流导线的表面双磁光阱(MOT)方案(即双U型导线磁光阱方案)。通过改变中间U型导线中的电流大小,即可将一个双磁阱连续地合并为一个单磁阱,反之亦然。详细计算和分析了上述双U型载流导线磁光阱方案的磁场及其梯度的空间分布,研究发现当导线中的电流为600 A,z方向均匀偏置磁感应强度为-4.0×10-3 T时,双U型导线方案产生的两个磁阱中心的磁场梯度约为1.5×10-3~2.5×10-3 T/cm,结合通常制备磁光阱时所用的三维粘胶(Molasses)光束即可在基底表面附近形成一双磁光阱。理论分析表明在弱光近似下,每个磁光阱中所能俘获的85Rb原子数约为106 量级,相应的磁光阱温度约为270μK。由于双磁光阱可以独立制备,所以双U型导线方案特别适用于制备双样品磁光阱,并用于研究双原子样品的冷碰撞性质。     

Self-alignment of Co adatoms on in atomic wires by quasi-one-dimensional electron-gas-meditated interactions

Low-density Co atoms are found to self-align on the Si(111)-(4 x 1)-In surface in the direction of In atomic wires at incommensurate adsorption sites. Indirect interaction between a pair of Co adatoms is investigated through a site distribution function of adatoms determined with scanning tunneling microscopy. In the direction of self-alignment, the potential of the mean force between two Co adatoms is long-range and oscillatory with multiple frequencies, which correlate strongly to the electronic scattering vectors of the surface-state bands at the Fermi level. We thus attribute the Co-Co interaction to that mediated by a quasi-one-dimensional electron gas confined within the In atomic wires.     

Depth profiling by means of sims: Recent progress and current problems

The present state of the art of secondary ion mass spectrometry (SIMS), applied to the in-depth analysis of impurity concentration profiles, is reviewed critically. It is shown that SIMS has reached a level of perfection which is unparalleled by other analytical techniques. There are, however, several effects which may cause deviations of the measured profile from the original dopant distribution. These detrimental effects are due to interaction of primary ions with the residual gas, adsorption and incorporation of residual gases, sputtering yield variations due to the accumulation of probe atoms in the sample, mass interference between molecular ions and the atomic species under study and, last but not least, beam-induced relocation of dopant atoms (“atomic mixing”). Methods for minimizing the respective disturbing effect are discussed.     

Base doping and dopant profile control of SiGe npn and pnp HBTs

Incorporation of high doping concentrations and the creation and maintaining of steep doping profiles during processing are key enabler for high level RF performance of heterojunction bipolar transistors (HBTs). In this paper, we discuss results of base doping and dopant profile control for npn and pnp SiGe HBTs fabricated within 0.25 μm BiCMOS technologies. High level of electrically active B and P doping concentrations (up to 10²⁰ cm⁻³) have been incorporated into SiGe. By adding C to SiGe steep doping profiles have been maintained due to the prevention of dopant diffusion during device processing. It is shown that broadening of P doping profiles caused by segregation could be reduced by lowering the deposition temperature for the SiGe cap. B and P atomic layer doping is shown to be suitable for the creation of steep and narrow doping profiles. This result is demonstrating the capability of the atomic layer processing approach for future devices with critical requirements of dopant dose and location control.     

Oscillatory magnetic anisotropy in one-dimensional atomic wires

One-dimensional Co atomic wires grown on Pt(997) have been investigated by x-ray magnetic circular dichroism. Strong changes of the magnetic properties are observed as the system evolves from 1D- to 2D-like. The easy axis of magnetization, the magnetic anisotropy energy, and the coercive field oscillate as a function of the transverse width of the wires, in agreement with theoretical predictions for 1D metal systems.     

二维GeSe纳米片五族和七族原子掺杂的受主和施主杂质态

采用第一性原理的计算方法研究GeSe纳米片结构掺杂V和VII族元素对其电子结构、形成能和跃迁能级的影响.结果表明：无论是掺杂V族还是VII族元素,体系的形成能均随杂质半径的增加而增加.V族元素掺杂体系的跃迁能级随杂质原子半径的增加而降低,而VII元素掺杂的体系却随杂质原子半径的增加而增加.其中,F、Cl、Br和I的掺杂为n型施主浅能级杂质,而N、P和As掺杂为p型受体深能级杂质.为相关的实验研究提供了理论参考.     

Finite size effects on transport coefficients for models of atomic wires coupled to phonons

We consider models of quasi-1-d, planar atomic wires consisting of several, laterally coupled rows of atoms, with mutually non-interacting electrons. This electronic wire system is coupled to phonons, corresponding, e.g., to some substrate. We aim at computing diffusion coefficients in dependence on the wire widths and the lateral coupling. To this end we firstly construct a numerically manageable linear collision term for the dynamics of the electronic occupation numbers by following a certain projection operator approach. By means of this collision term we set up a linear Boltzmann equation. A formula for extracting diffusion coefficients from such Boltzmann equations is given. We find in the regime of a few atomic rows and intermediate lateral coupling a significant and non-trivial dependence of the diffusion coefficient on both, the width and the lateral coupling. These results, in principle, suggest the possible applicability of such atomic wires as electronic devices, such as, e.g., switches.     

Self-Organization of Multiscale Structural Groups in a Low-Carbon Wire Subjected to Severe Drawing

Technical Physics - The peculiarities of the mechanical parameters and atomic structure of wires made of 08G2S steel subjected to severe drawing with a combination of shear and classical circular...     

Metallicity of atomic wires

The variety of atomic “dimensional” wires can now be synthesized on furrowed and stepped surfaces. These adlayers provide a variety of opportunities for systematically tailoring the surface properties. One of key issue is the metallicity of an atomic wire (even a “supported” atomic wire). Monte-Carlo simulations provide insight into the parameters of indirect interaction that are the basis for the formation of the atomic wires and their stability. In some cases, these results can be directly compared with density functional theory (DFT) calculations of energies of the lateral interactions between adsorbed atoms—one of the most transparent example of Sr/Mo(1 1 2) is presented here as well. It is the surface band structure calculations that provide insights on how metallicity in such surface structures might be altered.Surprisingly, like most of “metallic” wires on semiconductor surfaces, linear chains of alkaline earth on the furrowed transition metal surfaces, such as the Mo(1 1 2) surface, also do not exhibit strong metallic character but, rather, may be considered dielectric atomic chains. The adsorption bonds result in a loss in electron itinerancy, leading to greater valence electron localization in the adlayer in some cases. The localized character of the bands near the Fermi level, associated with the adlayer, is replaced by a metallic band structure when the lattice period of the adsorbed layer becomes incommensurate with the substrate periodicity along the furrows with increasing coverage of the adlayer. With changes in adlayer coverage, both theory and experiment indicate that the adsorbed layers can undergo a Wilson type nonmetal-to-metal transition.     

Onset of energy dissipation in ballistic atomic wires

Electronic transport at finite voltages in free-standing gold atomic chains of up to seven atoms in length is studied at low temperatures using a scanning tunneling microscope. The conductance vs voltage curves show that transport in these single-mode ballistic atomic wires is nondissipative up to a finite voltage threshold of the order of several mV. The onset of dissipation and resistance within the wire corresponds to the excitation of the atomic vibrations by the electrons traversing the wire and is very sensitive to strain.     

用于温密物质研究的强流电子束加载技术

能量20 MeV、流强2.5 kA的电子束脉冲可以在数十ns的时间内将靶材料加载至温密物质状态，进而可以开展材料状态方程、电导率以及不透明度等的实验研究工作。介绍了在神龙一号加速器上开展温密物质实验研究的束靶作用方式以及相应的测试技术。对电子束在直径0.3 mm、长1 mm的金属靶丝内的能量沉积和流体动力学响应进行了数值模拟。结果表明:靶丝的温度随着靶材料原子序数的增加而上升，而靶丝内温度分布的均匀性随着原子序数的增加而降低；在电子束加载后40 ns时刻Ta丝内的最高温度可以达到约1.6 eV。     

用于温密物质研究的强流电子束加载技术

能量20 MeV、流强2.5 kA的电子束脉冲可以在数十ns的时间内将靶材料加载至温密物质状态,进而可以开展材料状态方程、电导率以及不透明度等的实验研究工作。介绍了在神龙一号加速器上开展温密物质实验研究的束靶作用方式以及相应的测试技术。对电子束在直径0.3 mm、长1 mm的金属靶丝内的能量沉积和流体动力学响应进行了数值模拟。结果表明:靶丝的温度随着靶材料原子序数的增加而上升,而靶丝内温度分布的均匀性随着原子序数的增加而降低;在电子束加载后40 ns时刻Ta丝内的最高温度可以达到约1.6 eV。     

Effect of sorbitol doping in PEDOT:PSS on the electrical performance of organic photovoltaic devices

Organic photovoltaic cells have important advantages, such as low cost and mechanical flexibility. The conducting polymer poly(3,4 ethylenedioxy-thiophene):poly(styrene sulfonate) (PEDOT:PSS) has been widely used as an interfacial layer or a polymer electrode in polymer electronic devices, such as photovoltaic devices and light-emitting diodes. In this report, we discuss the direct current (DC) conductivity of PEDOT:PSS films containing various weight ratios of sorbitol dopant. The work function is shown to steadily decrease with increasing dopant content. With different dopant contents, illuminated current–voltage photovoltaic characteristics were observed. Ultraviolet photoelectron spectroscopy (UPS) analysis revealed that the work function of the PEDOT:PSS was affected by its sorbitol content. The morphologies of the doped PEDOT:PSS films were characterized by atomic force microscopy (AFM). For the device fabrication, we made organic photovoltaic cells by a spin-coating process and Al deposition by thermal evaporation. The sorbitol dopant is able to improve the efficiency of the device.