离子束辅助沉积硅薄膜负极材料的研究

采用离子束辅助沉积法制备了锂离子电池硅薄膜负极材料,研究了硅薄膜的晶体结构、表面形貌和电化学性能.研究结果表明：硅薄膜是非晶态的结构;非晶态硅薄膜发生嵌脱锂反应的电位分别为0.03 V与0.34 V和0.16 V与0.49 V;硅薄膜表现出很高比容量和充放电效率,其可逆比容量和库仑效率分别为3134.4 mAh/g和87.1％;硅薄膜具有优异的循环性能,在0.5C倍率下200次循环后容量保持率为92.2%. 关键词： 硅薄膜 离子束辅助沉积 锂离子电池 负极材料     

Carbon-coated Si/graphite composites with combined electrochemical properties for high-energy-density lithium-ion batteries

Carbon-coated Si/graphite composites with different Si/graphite weight ratio have been fabricated using solid-state reaction with aim to improve the cyclic stability, coulombic efficiency, and rate capability simultaneously. Microstructural investigation reveals that the Si particles are covered by amorphous carbon and attached to the carbon-coated graphite surface. Electrochemical evaluation has been performed using cyclic voltammetry and charge/discharge cycling at different current densities, which indicate that addition of graphite can not only enhance the first-cycle coulombic efficiency to 90 % but also improve the cyclic stability drastically. The carbon-coated Si/graphite composite with appropriate contents of Si, graphite, and carbon is expected to be promising candidate as anode materials for high-energy-density lithium-ion batteries.     

Emission of Si nanoclusters of different phases in amorphous hydrogenated silicon

This paper presents the results of PL spectrum studies for Si nano-clusters in an amorphous silicon matrix. The four amorphous Si layers were prepared by the hot-wire CVD method on glass substrates at a temperature of 250 ^°C and different filament temperatures in the range of 1650–1950 ^°C. The joint analysis of PL and X ray diffraction results dependant on technological conditions has been done. PL bands deal with Si nanocrystals and amorphous Si nanoclusters are discussed as well.     

Light induced adsorption of Si nano-composites in LiF crystals at 157 nm

Si nano-composites were precipitated on LiF crystals following ablation from Si targets with laser light at 157 nm. The LiF/Si interface was analyzed with scanning electron microscopy, atomic force microscopy and energy dispersive X-ray microanalysis. It was found that Si composites were strongly attached to LiF ionic sites to form inhomogeneous structures consisted of small isotropic crystals 0.1-1 μm long, rich in Si and fluorine, which eventually further agglomerate to form larger structures. The thickness of the LiF/Si interface was increased from 50 nm to 2 μm following laser irradiation at 157 nm, due to accelerated adsorption of Si in the LiF interface by VUV light.     

Si/polyaniline-based porous carbon composites with an enhanced electrochemical performance as anode materials for Li-ion batteries

Silicon/polyaniline-based porous carbon (Si/PANI-AC) composites have been prepared by a three-step method: coating polyaniline on Si particles using in situ polymerization, carbonizing, and further activating by steam. The morphology and structure of Si/PANI-AC composites have been characterized by scanning electron microscopy, transmission electron microscopy, X-ray diffraction, and Raman spectra, respectively. The content and pore structure of the carbon coating layer in Si/PANI-AC have been measured by thermogravimetric analysis and N₂ adsorption-desorption isotherm, respectively. The results indicate some micropores about 1~2 nm in the carbon layer appear during activation and that crystal structure and morphology of Si particles can be retained during preparation. Si/PANI-AC composites exhibit high discharge capacity about 1000 mAh g^?1 at 1.5 A g^?1; moreover, when the current density returns to 0.2 A g^?1, the discharge capacity is still 1692 mAh g^?1 and remains 1453 mAh g^?1 after 70 cycles. The results indicate that the porous carbon coating layer in composites plays an important role in the improvement of the electrochemical performance of pure Si.     

TaN underlayers for spin valves deposited directly on top of Si substrates

TaN underlayers for spin valves were studied, which were deposited directly on top of Si substrates. The experimental results obtained with the TaN underlayer were compared with those obtained with other (Ta, Mo, and MoN) underlayers. The spin valve structure was Si/Underlayer(tÅ)/NiFe(21 Å)/CoFe(28 Å)/Cu(22 Å)/CoFe(18 Å)/IrMn(65 Å)/Ta(25 Å). The TaN underlayer for a spin valve element exhibited good adhesion to the Si substrate. The XRD patterns of the annealed TaN on bare Si substrate at 900 °C showed no Ta silicide phases, which suggests that the TaN layer may also be used as a diffusion barrier between Si substrate and the ensuing spin valve active layers, as well as an underlayer. A spin valve element having TaN underlayer deposited directly on top of a Si substrate showed a high MR ratio of about 8.3% after annealing at 200 °C. It is concluded that it is advantageous to use a TaN underlayer if one wants to fabricate spin valve elements directly on top of Si substrates.     

Thermal behaviour of Co/Si/W/Si multilayers under rapid thermal annealing

The e-beam deposited multilayers (MLS) were studied under rapid thermal annealing (RTA) between 250°C and 1000°C during 30 s. MLS with five Co/Si/W/Si periods, each 13.9 nm (MLS1) and 18 nm (MLS2) were deposited onto oxidized Si substrates. Samples were analyzed by X-ray diffraction, hard and soft X-ray reflectivity measurements and grazing incidence X-ray diffuse scattering. The MLS period, interface roughness and its lateral and vertical correlations were obtained by simulation of the hard X-ray reflectivity and diffuse scattering spectra. The MLS1 with thinner Co layers is more temperature resistant. However, its soft X-ray reflectivity is smaller. The results show that this is because of shorter lateral and vertical correlation lengths of the interface roughness which may considerably influence the X-ray reflectivity of multilayers.     

Balance the oxidation resistance and mechanical properties of C/Si–C–N composite by a Si–O–C interphase

Carbon fiber reinforced Si–C–N matrix composite with a Si–O–C interphase (C/Si–O–C/Si–C–N) was fabricated via chemical vapor infiltration and polymer impregnation and pyrolysis process. The mechanical properties and oxidation behaviors of C/Si–O–C/Si–C–N were investigated using three-point-bending test and thermogravimetry. The results indicated that the oxidation resistance of C/Si–O–C/Si–C–N was improved as compared to C/Si–C–N with pyrolytic carbon (PyC) interphase (C/PyC/Si–C–N). The higher oxidation resistance of C/Si–O–C/Si–C–N attributed to the high inoxidizability of Si–O–C interlayer and low thermal stress in matrix. The flexural strength of C/Si–O–C/Si–C–N rivaled that of C/PyC/Si–C–N and the modulus was higher than that of C/PyC/Si–C–N. The suitable interphase and the optimized interface bonding can get the high oxidation resistance of the composites with the mechanical properties maintained.     

On the interplay of internal/external stress and thermal stability of Mo/Si multilayers

Mo/Si multilayer (ML) systems were deposited on Si(100) substrate by DC magnetron sputtering. The MLs were annealed at temperatures up to 440 °C under high-vacuum conditions, both with and without the influence of external mechanical stress, and characterized before and after thermal treatment by means of X-ray reflectometry, wide-angle X-ray scattering and optical microscopy. Two ML configurations were compared, one composed of pure Mo and Si layers and another with additional B₄C and C interlayers at the Mo/Si interfaces, respectively. The external mechanical stress applied caused bending of the substrate and adherent ML, with an accompanied internal stress of approximately 60 GPa. An important outcome of the investigation was that dedicated release bending of MLs can reduce/compensate the influences of the internal stressed states. Thermal stability could be increased for both ML systems during sample annealing. For ML samples with additional B₄C and C layers at the Mo/Si interfaces, the influence of external stress was more significant compared to that for pure Mo/Si MLs. This indicates that the additional layers mainly act as diffusion barriers and additionally as stress-relaxing buffers. PACS 68.60.Dv; 68.65.Ac; 42.79.Bh     

Deformation effects in the 28Si+12C and 28Si+28Si reactions

The possible occurrence of highly deformed configurations is investigated in the ⁴⁰Ca and ⁵⁶Ni di-nuclear systems as formed in the ²⁸Si + ¹²C, ²⁸Si reactions by using the properties of emitted light charged particles. Inclusive as well as exclusive data of the heavy fragments and their associated light charged particles have been collected by using the ICARE charged particle multidetector array. The data are analysed by Monte Carlo CASCADE statistical-model calculations using a consistent set of parameters with spin-dependent level densities. Significant deformation effects at high spin are observed as well as an unexpected large ⁸Be cluster emission of a binary nature.     

Si quantum dot structures and their applications

This paper presents briefly the history of emission study in Si quantum dots (QDs) in the last two decades. Stable light emission of Si QDs and NCs was observed in the spectral ranges: blue, green, orange, red and infrared. These PL bands were attributed to the exciton recombination in Si QDs, to the carrier recombination through defects inside of Si NCs or via oxide related defects at the Si/SiOx interface. The analysis of recombination transitions and the different ways of the emission stimulation in Si QD structures, related to the element variation for the passivation of surface dangling bonds, as well as the plasmon induced emission and rare earth impurity activation, have been presented.The different applications of Si QD structures in quantum electronics, such as: Si QD light emitting diodes, Si QD single union and tandem solar cells, Si QD memory structures, Si QD based one electron devices and double QD structures for spintronics, have been discussed as well. Note the significant worldwide interest directed toward the silicon-based light emission for integrated optoelectronics is related to the complementary metal-oxide semiconductor compatibility and the possibility to be monolithically integrated with very large scale integrated (VLSI) circuits. The different features of poly-, micro- and nanocrystalline silicon for solar cells, that is a mixture of both amorphous and crystalline phases, such as the silicon NCs or QDs embedded in a α-Si:H matrix, as well as the thin film 2-cell or 3-cell tandem solar cells based on Si QD structures have been discussed as well. Silicon NC based structures for non-volatile memory purposes, the recent studies of Si QD base single electron devices and the single electron occupation of QDs as an important component to the measurement and manipulation of spins in quantum information processing have been analyzed as well.     

纳米Si/C/N复相粉体的微波介电特性

研究了纳米Si/C/N复相粉体在8.2—18GHz的微波介电特性,采用双反应室激光气相合成纳米粉体装置,以六甲基二硅胺烷((Me₃Si)₂NH)(Me∶CH₃)为原料,用激光诱导气相反应法合成纳米Si/C/N复相粉体,复相粉体的粒径为20—30nm.纳米Si/C/N复相粉体与石蜡复合体的介电常量的实部(ε′)和虚部(ε″)以及介电损耗角正切(tan δ=ε″/ε′)随纳米粉体含量的增加而增大,ε′和ε″与纳米粉体体积分数(v)之间符合二次函 关键词： 纳米Si/C/N复相粉体 微波介电常量 微观结构     

XPS study of annealing induced effects on surface and interface electronic properties of Si/Ge nanostructures

The present study is focused on the influence of vacuum thermal treatment on surface/interface electronic properties of Si/Ge multilayer structures (MLS) characterized using X-ray photoelectron spectroscopy (XPS) technique. Desired [Si(5 nm)/Ge(5 nm)]_×10 MLS were prepared using electron beam evaporation technique under ultra high vacuum (UHV) conditions. The core-level XPS spectra of as-deposited as well as multilayer samples annealed at different temperatures such as 100 °C, 150 °C and 200 °C for 1 h show substantial reduction in Ge 2p peak integrated intensity, whereas peak intensity of Si 2p remains almost constant. The complete interdiffusion took place after annealing the sample at 200 °C for 5 h as confirmed from depth profiling of annealed MLS. The asymmetric behaviour in intensity patterns of Si and Ge with annealing was attributed to faster interdiffusion of Si into Ge layer. However, another set of experiments on these MLS annealed at 500 °C suggests that interdiffusion can also be studied by annealing the system at higher temperature for relatively shorter time duration.     

基于第一性原理的Si/SiC、Al/SiC界面成键特性和结合强度对比研究

采用半固态搅拌铸造法制备Al Si7-Si C复合材料,并利用真空压铸工艺实现了其近净成形,结合第一性原理计算方法研究了共晶Si对Si C颗粒和基体界面结合强度的影响.结果显示,在Al Si7-Si C复合材料中,发现较为严重的共晶Si偏析现象,当Si C颗粒同时处于共晶Si和α-Al边界时,形成了少量的共晶Si夹杂、被大量共晶Si包裹、完全被共晶Si包裹三种典型的界面.第一性原理计算结果显示,在C端和Si端的Si/Si C界面中,弛豫后top Si¹配位方式具有最大的粘附功,与Al/Si C界面相比,Si/Si C界面具有更高的结合强度.Si偏析相提高了界面处的电荷密度,因而具有更好的界面结构稳定性.     

GS-MBE生长的GaP/Si的XPS研究

利用X射线光电子能谱(XPS)深度剖析方法对气体源分子束外延(GS-MBE)生长的GaP/Si异质结构进行了详细的分析.其结果表明:(1)外延层内Ga、P光电子峰与GaP相相符,且组份分布均匀,为正化学比GaP.(2)在不同富PH₃流量条件下生长的样品,其表面富P量稍有不同,而GaP外延层内的测试结果相同.界面也未见有P的富集.(3)XPS剖析至GaP/Si界面附近,随外延层界面向衬底过渡,Si2p光电子峰向高结合能方向移动,且其结合能高于原衬底p型Si,接近于n型Si.但Ga、P光电子峰未发现有明显能移.(4)在XPS检测限内,外延层内和界面都未见有C、O等沾污.这一研究表明:无污染的本底超高真空、相对过剩的富₃生长环境、成功的Si衬底清洗方法等措施保证了GS-MBE生长出正化学比GaP/Si外延异质结构.     

Silicon carbonitride by remote microwave plasma CVD from organosilicon precursor: Physical and mechanical properties of deposited Si:C:N films

Silicon carbonitride (Si:C:N) films produced by the remote microwave hydrogen plasma chemical vapor deposition (RP-CVD) using bis(dimethylamino)methylsilane as single-source precursor and hydrogen as an upstream gas for plasma generation, were examined in terms of their physical (density) and mechanical (hardness, elastic modulus, friction coefficient, and “plasticity index”) properties. The effect of substrate temperature (varied in the range of 30-400 °C) on the properties of Si:C:N films is presented. A reasonable compositional and structural dependencies of film properties were determined using, respectively, the XPS atomic concentration ratios N/Si and C/Si, as well as the relative integrated intensities of the IR absorption bands from the SiN and SiC bonds (controlled by deposition temperature), evaluated in the first part of this work. In view of their good mechanical properties, Si:C:N films seem to be useful coatings for improving surface mechanics of engineering materials.     

Si衬底上异质外延金刚石的初始阶段原子H的作用及其界面结构

用高分辨率电子能量损失谱方法研究了原子H与被C₂H₂吸附的Si(100)界面的相互作用.结果显示,在Si(100)界面上,Si—Si二聚化键和C₂H₂中的C—C键被H原子打开,它们分别形成Si—H,C—H键.用AM1量子化学方法,计算了C₂H₂和C₂H₄在Si(100)上的吸附结构,指出了C₂H_{2关键词：}     

Low-temperature formation of nanocrystalline SiC particles and composite from three-layer Si/C/Si film for the novel enhanced white photoluminescence

In this article, nanocrystalline silicon carbide (nc-SiC) and composite have been synthesized at an annealing temperature as low as 750 °C through the thermal reaction of Si/C/Si multilayers deposited on the Si(100) substrate by ultra-high-vacuum ion beam sputtering (UHV IBS) compared with the conventional thermal formation of crystalline SiC (c-SiC) nanostructures above 1,000 °C. The evolution of microstructure and reaction between C and Si was examined by Raman spectroscopy, Fourier transform infrared spectrometer (FTIR), high-resolution field emission scanning electron microscope (HR-FESEM), and high-resolution transmission electron microscopy. The c-SiC nanoparticles (np-SiC) of around 20–120 nm in diameter appeared on the top and bottom of the three-layer film with a particle density of around 2.63 × 10¹⁰ cm⁻² after 750 °C annealing. The composite of nc-SiC and Si nanocrystals (nc-Si) size below 5 nm embedded in an amorphous SiC (a-SiC) matrix appeared at the interface between the Si and C layers. Efficient thermal energy is the driving force for the formation of nc-SiC and composite through interdiffusion between C and Si. The broad visible photoluminescence (PL) spectrum of 350–750 nm can be obtained from the annealed composite Si/C/Si multilayer and deconvoluted into four bands of blue (~430 nm), green (~500 nm), green–yellow (~550 nm), and orange (~640 nm) emission, corresponding to the emission origins from nc-SiC, sp² carbon clusters, np-SiC, and nc-Si, respectively.     

Enhanced electron field emission from dense Si nano-dots prepared by laser crystallization of ultrathin amorphous Si films

Dense Si nano-dots with a surface area density of >10¹⁰ cm^?2 were fabricated by excimer laser induced crystallization of 15 nm-thick amorphous Si thin films. The enhanced electron field emission characteristics were found from laser irradiated samples. The threshold electric field is as low as 9.8V/μm and the field enhancement factor can reach as large as 719, which is compatible with the other good cold cathode materials. The improvements in field emission behavior can be associated with the change in the surface morphology after laser irradiation as well as the enhanced internal electric field due to the formation of Si nano-dots within the films.     

Heavy atomic-layer doping of B in low-temperature Si epitaxial growth on Si(1 0 0) by ultraclean low-pressure chemical vapor deposition

Electrical characteristics of B atomic-layer doped Si epitaxial films on Si(1 0 0) formed by B atomic-layer formation on Si(1 0 0) at 180 °C and subsequent capping Si deposition at 500 °C using ultraclean low-pressure chemical vapor deposition were investigated. From evaluation results of carrier concentration in the films, by low-temperature SiH₄ exposure at 180-300 °C before the capping Si deposition at 500 °C, 70% improvement of B electrical activity was confirmed, and it is suggested that lowering the temperatures for B atomic-layer formation on Si(1 0 0) as well as SiH₄ exposure before the capping Si deposition is effective to suppress B clustering and to achieve B atomic-layer doped Si films with extremely high carrier concentration.