Gas-source MBE growth of freestanding Si nano-wires on Au/Si substrate

Freestanding Si nano-wires were grown by gas source molecular beam epitaxy on Au/Si (100), (111), (110), and (113) substrates. The morphology of Si nano-wires is investigated using scanning electron microscopy. This method provides a possible way to fabricate silicon quantum wires.     

Realization of silicon quantum wires based on Si/SiGe/Si heterostructure

We report on the successful fabrication of silicon quantum wires with SiO2 boundaries on SiGe/Si heterostructures by combining Si/SiGe/Si heteroepitaxy, selective chemical etching, and subsequent thermal oxidation. The observational result of scanning electron microscope is demonstrated. The present method provides a well-controllable way to fabricate silicon quantum wires.     

Unambiguously distinguishing Si[3Si,1Al] and Si[3Si,1OH] stuctural units in zeolite by 1H/29Si/27Al triple resonance solid state NMR spectroscopy

We present an experimentally feasible triple-resonance NMR method that establishes the correlation among three different nuclei, avoiding the difficulty to directly explore the weak coupling between two NMR nuclei, such as (29)Si and (27)Al. Using this method, we are able to give an unambiguous assignment to the various peaks in (29)Si CP NMR spectrum of MCM-22 zeolite and discriminate (29)Si signals from SiOHAl and SiOH groups. In addition, in combination with (1)H/(27)Al double-resonance technique, the (1)H/(27)Al/(29)Si triple-resonance experiment suggests the presence of two different kinds of Br?nsted acid sites in H-MCM-22 zeolite.     

硅基超晶格Si1-xSnx/Si的能带结构

由于Si基发光材料能与现有的Si微电子工艺兼容,其应用前景被广泛看好. 设计具有直接带隙的Si基材料,备受实验和理论研究者的关注. 本文根据芯态效应、电负性差效应和对称性效应设计了Si基超晶格Si_1－xSn_x/Si. 其中Si_0.875Sn_0.125/Si为直接带隙材料. 在密度泛函框架内,采用平面波赝势法计算表明,Si_0.875Sn_{0.125相似文献}   

硅(001)图形衬底上锗硅纳米线的定位生长

纳米线的定位生长是实现纳米线量子器件寻址和集成的前提.结合自上而下的纳米加工和自下而上的自组装技术,通过分子束外延生长方法,在具有周期性凹槽结构的硅(001)图形衬底上首先低温生长硅锗薄膜然后升温退火,实现了有序锗硅纳米线在凹槽中的定位生长,锗硅纳米线的表面晶面为(105)晶面.详细研究了退火温度、硅锗的比例及图形周期对纳米线形成与否,以及纳米线尺寸的影响.     

Weighted oscillator strengths and lifetimes for the Si XII and Si XIII spectra

The weighted oscillator strengths (gf) and the lifetimes for Si XII and Si XIII presented in this work were carried out in a multiconfiguration Hartree-Fock relativistic (HFR) approach. In this calculation, the electrostatic parameters were optimized by a least-squares procedure, in order to improve the adjustment to experimental energy levels. This method produces gf-values that are in better agreement with intensity observations and lifetime values that are closer to the experimental ones. In this work we present all the experimentally known electric dipole Si XII and Si XIII spectral lines.     

树形结构Si/ZnO纳米线阵列的制备及光学性能

用一种低成本的方法制备出了树形结构Si/ZnO纳米线阵列。首先在室温条件下用金属辅助化学腐蚀法在Si(100)衬底上制备了Si纳米线阵列,Si纳米线的直径尺寸及分布都很均匀,通过改变腐蚀时间,能够得到高度不同的Si纳米线阵列。利用磁控溅射在Si纳米线表面制备一层ZnO薄膜,然后利用水热法在Si纳米线阵列上生长了ZnO纳米线。通过扫描电子显微镜(SEM)、能谱分析仪(EDS)和光致发光(PL)测试对样品进行了表征。通过这种方法制备的Si/ZnO复合结构在太阳能电池、光催化等领域有潜在应用价值。     

Simulation of range profiles for boron implantation into SiO2/Si and Si3N4/SiO2/Si targets

The simple method of profile combination is shown to be applicable to the simulation of boron profiles in SiO₂/Si and Si₃N₄/Si layered targets. This is demonstrated by comparison with range distributions calculated by more sophisticated theoretical methods, i.e. TRIM Monte Carlo simulations and the algorithm of Christel et al., and with experimental data. The method of profile combination can also be applied to layered targets with a crystalline silicon substrate.     

Si(001)面上外延生长的Ru2 Si3电子结构及光学性质研究

基于第一性原理的赝势平面波方法,对异质外延关系为Ru2Si3(100)//Si(001),取向关系为Ru2Si3[010]//Si[110]正交相的Ru2Si3平衡体系下能带结构、态密度和光学性质等进行了理论计算.计算结果表明:当1.087 nm≤a≤1.099 nm时,正交相Ru2Si3的带隙值随着晶格常数a取值的增大而增大.当a取值为1.093 nm时,体系处于稳定状态,此时Ru2Si3是具有带隙值为0.773 eV的直接带隙半导体.Ru2Si3价带主要是由Si的3p,3s态电子及Ru 4d态电子构成;导带主要由Ru的4d及Si的3p态电子构成.外延稳定态及其附近各点处Ru2Si3介电函数的实部和虚部变化趋势基本一致,但外延稳定态Ru2Si3介电函数的曲线相对往低能区漂移,出现的介电峰减少且峰的强度明显增强.     

Stability of Si70 cage structures

We have performed calculations on the cage structures with and without inner atoms, a stacked structure for Si70 cluster by using FP-LMTO-MD method. It is found that the Si70 perfect cages, including its ionic cages, would distort into puckered hollow balls. But the distorted hollow ball is still less stable than a stacked structure. Further calculations suggest that a distorted cage structure with inner atoms, resulting from Si60 perfect cages by inserting 10 inner atoms, is much more stable than the distorted hollow cage and the stacked structure of Si70.     

Fundamental processes in Si/Si and Ge/Si epitaxy studied by scanning tunneling microscopy during growth

Experimental results on the epitaxy of Si and Ge on Si(0 0 1) and Si(1 1 1) surfaces, which are obtained by scanning tunneling microscopy (STM) imaging during growth, are reviewed. Techniques for simultaneous epitaxial growth and STM measurements at high temperature are described. The ability to access the evolution of the growth morphology during growth down to the atomic level enables the study of the influence of surface reconstruction on the growth. The relatively complete characterization of the growth process facilitates comparison to theoretical models and allows the identification of fundamental growth processes. For instance, the observed transition between different growth modes can be explained by specific growth processes included in a model. The influence of strain on the growth morphology is reviewed for the case of heteroepitaxial growth of Ge on Si. With the method of combining STM imaging and epitaxial growth, the transition from two-dimensional to three-dimensional growth as well as the evolution of size and shape of three-dimensional islands can be studied.     

Si/SiGe异质结构的硅盖层中应变对Raman谱特征的影响

应变Si/SiGe异质结构通过大剂量Ge离子注入并结合高温快速热退火制备而成。325 nm波长的紫外激光被用于调查应变Si盖层的Raman谱特征。实验发现,硅盖层中的张应变导致硅的520 cm-1的一级拉曼散射峰向低频方向偏移,峰的偏移程度反映硅盖层中横向张应力的大小约为12.5×108 N·m-2。硅盖层中的张应变并未导致1 555和2 330 cm-1的次级拉曼散射峰的变化。     

形变Si,Ge中的深能级

对生长在合金衬底上的形变Si或Ge中由替位原子或空位缺陷产生的深能级进行了研究。其中形变体材料的电子结构用经验的紧束缚方法进行计算,缺陷能级采用格林函数法进行计算出。结果表明,晶格中的形变使原来类p的T₂能级发生分裂,其数值随形变的增加而增大。形变还造成Si和Ge的价带顶有较大的上升,从而使某些杂质的缺陷能级由深能级变为共振能级。 关键词：     

Photoluminescence of Si from Si nanocrystal-doped SiO2/Si multilayered sample

A multilayered Si nanocrystal-doped SiO₂/Si (or Si-nc:SiO₂/Si) sample structure is studied to acquire strong photoluminescence (PL) emission of Si via modulating excess Si concentration. The Si-nc:SiO₂ results from SiO thin film after thermal annealing. The total thickness of SiO layer remains 150 nm, and is partitioned equally into a number of sublayers (N = 3, 5, 10, or 30) by Si interlayers. For each N-layered sample, a maximal PL intensity of Si can be obtained via optimizing the thickness of Si interlayer (or d_Si). This maximal PL intensity varies with N, but the ratio of Si to O is nearly a constant. The brightest sample is found to be that of N = 10 and d_Si = 1 nm, whose PL intensity is ∼5 times that of N = 1 without additional Si doping, and ∼2.5 times that of Si-nc:SiO₂ prepared by co-evaporating of SiO and Si at the same optimized ratio of Si to O. Discussions are made based on PL, TEM, EDX and reflectance measurements.     

Study of GaN adsorption on the Si surface

The adsorption energy, the band structures and DOS (density of states) of GaN on surface of Si(1 0 0) and Si(1 1 1) are calculated by the first-principle using plane-wave pseudo-potentials method based on the density functional theory in order to know the adsorption between the surface of Si and GaN. The calculation results show that GaN is easier adsorbed on the surface of Si(1 0 0) than the surface of Si(1 1 1) under the same experimental condition. There are strong charge distributions between N and Si atom. The bandgap of GaN on surface of Si(1 0 0) becomes a little narrower than that of pure GaN. On the other hand, GaN film is deposited on the surface of Si(1 0 0) by ECR-MOPECVD (electron cyclotron resonance-plasma enhanced chemical vapor deposition) at low temperature. For substrate of Si(1 1 1), no film is obtained under the same experimental condition.     

Optical emission from excess Si defect centers in Si nanostructures

Four groups of Si nanostructures with and without beta-SiC nanocrystals were fabricated for clarifying the origin of a blue emission with a double-peak structure at 417 and 436 nm. Spectral analyses and microstructural observations show that the blue emission is related to the existence of excess Si atoms in these Si nanostructures. The energy levels of electrons in Si nanocrystals with vacancy defects formed from the excess Si atoms are calculated and the characteristics of the obtained density of states coincide with the observed double-peak emission. The present work provides a possible mechanism of the blue emission in various Si nanostructures.     

Measurement of the interfacial energy between amorphous Si and crystalline Si

The experimental data of crystallization of amorphous Si thin films on single crystal Si substrates and on inert substrates have been analysed by a kinetic model of phase transformation. On the basis of the analysis, the interfacial energy between amorphous Si and crystalline Si has been calculated to be about 0.30 eV/atom and the number of Si atoms in the critical nucleus to be about 110.Dedicated to H.-J. Queisser on the occasion of his 60th birthday     

Characterization of Al/Si junctions on Si(100) wafers with chemical vapor deposition-based sulfur passivation

Chemical vapor deposition-based sulfur passivation using hydrogen sulfide is carried out on both n-type and p-type Si(100) wafers. Al contacts are fabricated on sulfur-passivated Si(100) wafers and the resultant Schottky barriers are characterized with current–voltage (I–V), capacitance–voltage (C–V) and activation-energy methods. Al/S-passivated n-type Si(100) junctions exhibit ohmic behavior with a barrier height of <0.078 eV by the I–V method and significantly lower than 0.08 eV by the activation-energy method. For Al/S-passivated p-type Si(100) junctions, the barrier height is ~0.77 eV by I–V and activation-energy methods and 1.14 eV by the C–V method. The discrepancy between C–V and other methods is explained by image force-induced barrier lowering and edge-leakage current. The I–V behavior of an Al/S-passivated p-type Si(100) junction remains largely unchanged after 300 °C annealing in air. It is also discovered that heating the S-passivated Si(100) wafer before Al deposition significantly improves the thermal stability of an Al/S-passivated n-type Si(100) junction to 500 °C.     

Amorphous Si critical dimension structures with direct Si lattice calibration

Developing highly accurate critical dimension standards is a significant task for nanoscale metrology. In this paper, we put forward an alternative approach to fabricate amorphous Si critical dimension structures with direct Si lattice calibration in the same frame scanning transmission electron microscopy image. Based on the traceable measurement analysis, the optimized method can provide the same calibration accuracy and increase the fabrication throughput and lower the cost simultaneously, which benefits the application needs in atomic force microscopy(AFM) tip geometry characterization,benchmarking measurement tools, and conducting comparison measurements between different approaches.     

Excess Si concentration dependence of the photoluminescence of Si nanoclusters in SiO2 fabricated by ion implantation

A method for the fabrication of luminescent Si nanoclusters in an amorphous SiO₂ matrix by ion implantation and annealing, and the detailed mechanisms for the photoluminescence are reported. We have measured the implanted ion dose, annealing time and excitation energy dependence of the photoluminescence from implanted layers. The samples were fabricated by Si ion implantation into SiO₂ and subsequent high-temperature annealing. After annealing, a photoluminescence band below 1.7 eV has been observed. The peak energy of the photoluminescence is found to be independent of annealing time and excitation energy, while the intensity of the luminescence increases as the annealing time and excitation energy increase. Moreover, we found that the peak energy of the luminescence is strongly affected by the dose of implanted Si ions especially in the high dose range. These results indicate that the photons are absorbed by Si nanoclusters, for which the band-gap energy is modified by the quantum confinement effects, and the emission is not simply due to direct electron–hole recombination inside Si nanoclusters, but is related to defects probably at the interface between Si nanoclusters and SiO₂, for which the energy state is affected by Si cluster–cluster interactions. It seems that Si nanoclusters react via a thin oxide interface and the local concentrations of Si nanoclusters play an important role in the peak energy of the photoluminescence.