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.     

Weighted oscillator strengths and lifetimes for the S IX and S X spectra

The weighted oscillator strengths (gf) and the lifetimes presented in this work were carried out in a multi configuration 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 presented all the experimentally known electric dipole S IX and S X spectral lines.     

Assessing Carrier Recombination Processes in Type‐II SiGe/Si(001) Quantum Dots

In this work, it is shown how different carrier recombination paths significantly broaden the photoluminescence (PL) emission bandwidth observed in type‐II self‐assembled SiGe/Si(001) quantum dots (QDs). QDs grown by molecular beam epitaxy with very homogeneous size distribution, onion‐shaped composition profile, and Si capping layer thicknesses varying from 0 to 1100 nm are utilized to assess the optical carrier‐recombination paths. By using high‐energy photons for PL excitation, electron‐hole pairs can be selectively generated either above or below the QD layer and, thus, clearly access two radiative carrier recombination channels. Fitting the charge carrier capture‐, loss‐ and recombination‐dynamics to PL time‐decay curves measured for different experimental configurations allows to obtain quantitative information of carrier capture‐, excitonic‐emission‐, and Auger‐recombination rates in this type‐II nano‐system.     

Secondary ion emission processes of sputtered alkali ions from alkali/Si(100) and Si(111)

The secondary alkali ion yield vs. the work function change (Δφ) of Na, K and Cs/Si(100) and Si(111) was measured to discuss the details of secondary ion emission processes. In the case of alkali/metal systems, the secondary ion emission is explained by the electron tunneling model. In this model, the ionization of the ejected atom occurs as a result of electron resonant tunneling through the potential barrier separating an atom and a metal, and the secondary ion yield depends on exponentially the work function change of metal surface. For alkali/Si(100) systems, the secondary ion emission processes are explained in terms of the electron tunneling model since the secondary alkali ion yield vs. the work function change (Δφ) follows the exponential manner. However, it is not easy to apply the simple electron tunneling model to our experimental results for alkali/Si(111) systems. There is the essential difference in surface structures between Si(100) and Si(111). Therefore, it is suggested that the local electronic environment around the adsorbates might be taken into consideration for alkali/Si(111) systems.     

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.     

Geometrical approach to the thermodynamical theory of phase transitions of the second kind

A geometrical approach to the phenomenological theory of phase transitions of the second kind at constant pressure P and variable temperature T is proposed. Equilibrium states of a system at zero external field and fixed P and T are described by points in three-dimensional space with coordinates η, the order parameter, T, the temperature and /gf, the thermodynamic potential. These points form the so-called zero field curve in the (η, T, /gf) space. Its branch point coincides with the critical point of the system. The small parameter of the theory (the distance from the critical point along the zero-field curve) is shown to be more convenient than the small parameter of the Landau theory. It is emphasized that no explicit functional dependency of /gf on η and T is imposed.

It is shown that using (η, T, /gf) space one cannot overcome well-known difficulties of the Landau theory of phase transitions and describe non-analytical behavior of real systems in the vicinity of the critical point. This becomes possible only if one increases the dimensionality of the space, taking into account the dependency of the thermodynamic potential not only on η and T, but also on near (local) order parameters λ_i. In this case under certain conditions it is possible to describe anomalous increase of the specific heat when the temperature of the system approaches the critical point from above as well as from below the critical temperature T_c.     

Detailed Characteristics of Expansion Velocity of Si from Laser Ablated SiC

Optical emission of plasma is used to investigate the characteristics of dynamics distribution in the plume gen- erated by ablation of a SiC sample using Nd：YAG laser. The plume expansion dynamics is characterized by time-of-flight measurement. We find that the profiles of Si （I） （390.55 nm） split into two components and the Si （1I） （634. 71 nm） spectra show two distinct expansion dynamics regions. The time-of-flight measurement of Si（ll） （634. 71 nm） under different laser irradianee conditions, from 0.236 G W/cm^2 to 1.667 G W/cm^2, are presented and discussed.     

The progress towards terahertz quantum cascade lasers on silicon substrates

A review is presented of work over the last 10 years which has been aimed at trying to produce a Si‐based THz quantum cascade laser. Potential THz applications and present THz sources will be briefly discussed before the materials issues with the Si/SiGe system is discussed. Waveguide designs and waveguide losses will be presented. Experimental measurements of the non‐radiative lifetimes for intersubband transitions in Si_1‐xGe_x quantum wells will be presented along with theory explaining the important scattering mechanisms which determine the lifetimes. Examples of p‐type Si/SiGe quantum cascade designs with the experimental electroluminescence will be reviewed and examples of n‐type Si‐based designs will be presented. In the conclusion designs and structures will be discussed with the greatest potential to achieve an electrically pumped Si‐based THz laser.     

消光起伏自相关频谱法颗粒测量技术

消光起伏相关频谱法(TFCS)是一种新的颗粒测量方法。采用一束窄光束照射两相流系统,照射区中颗粒浓度的起伏所导致的透射光起伏信号中包含了颗粒的粒径和浓度信息,对光束的透过率信号作相关处理得到消光起伏相关频谱,可用来同时测量两相流中颗粒的粒径分布和体积浓度。由于在测量原理和结构上非常简单,这种方法可用来实现在线、实时测量。本文介绍消光起伏自相关频谱的测量原理,并给出部分实测结果。     

An improved Doppler model for obtaining accurate maximum blood velocities

Maximum blood velocity estimates are frequently required in diagnostic applications, including carotid stenosis evaluation, arteriovenous fistula inspection, and maternal-fetal examinations. However, the currently used methods for ultrasound measurements are inaccurate and often rely on applying heuristic thresholds to a Doppler power spectrum. A new method that uses a mathematical model to predict the correct threshold that should be used for maximum velocity measurements has recently been introduced. Although it is a valuable and deterministic tool, this method is limited to parabolic flows insonated by uniform pressure fields. In this work, a more generalized technique that overcomes such limitations is presented. The new approach, which uses an extended Doppler spectrum model, has been implemented in an experimental set-up based on a linear array probe that transmits defocused steered waves. The improved model has been validated by Field II simulations and phantom experiments on tubes with diameters between 2 mm and 8 mm. Using the spectral threshold suggested by the new model significantly higher accuracy estimates of the peak velocity can be achieved than are now clinically attained, including for narrow beams and non-parabolic velocity profiles. In particular, an accuracy of +1.2 ± 2.5 cm/s has been obtained in phantom measurements for velocities ranging from 20 to 80 cm/s. This result represents an improvement that can significantly affect the way maximum blood velocity is investigated today.     

Positron Energy Levels in Cd-Based Semiconductors

Using the full potential linearized augmented plane wave FP-LAPW method within local density ap-proximation LDA, we have studied positron diffusion and surface emission in Cd-based semiconductors. This requires the calculation of electron and positron band structures. In the absence of experimental and theoretical data for CdX (X=S,Se,Te) we have treated the Si, which has been studied by several authors, as a test case. Predictive results on positron effective masses, deformation potentials, positron work functions, diffusion constants and positron mobilities are presented for CdX (X=S, Se, Te). Our calculated data for Si are compared with experimental and recent theoretical results.     

Structural-electronic aspects related to the near-infrared light emission of Fe-doped silicon films

The need of efficient (fast and low consumption) optoelectronic devices has always been the driving force behind the investigation of materials with new or improved properties. To be commercially attractive, however, these materials should be compatible with our current micro-electronics industry and/or telecommunications system. Silicon-based compounds, with their matured processing technology and natural abundance, partially comply with such requirements—as long as they emit light. Motivated by these issues, this work reports on the optical properties of amorphous Si films doped with Fe. The films were prepared by sputtering a Si +Fe target and were investigated by different spectroscopic techniques. According to the experimental results, both the Fe concentration and the thermal annealing of the samples induce changes in their atomic structure and optical-electronic properties. In fact, after thermal annealing at ∼750 °C, the samples partially crystallize with the development of Si and/or β- FeSi₂ crystallites. In such a case, certain samples present light emission at ∼1500 nm that depends on the presence of β- FeSi₂ crystallites and is very sensitive to the annealing conditions. The most likely reasons for the light emission (or absence of it) in the considered Fe-doped Si samples are presented and discussed in view of their main structural-electronic characteristics.     

A two-dimensional threshold voltage analytical model for metal-gate/high-k/SiO₂ /Si stacked MOSFETs

In this paper the influences of the metal-gate and high-k/SiO 2 /Si stacked structure on the metal-oxide-semiconductor field-effect transistor(MOSFET) are investigated.The flat-band voltage is revised by considering the influences of stacked structure and metal-semiconductor work function fluctuation.The two-dimensional Poisson’s equation of potential distribution is presented.A threshold voltage analytical model for metal-gate/high-k/SiO 2 /Si stacked MOSFETs is developed by solving these Poisson’s equations using the boundary conditions.The model is verified by a two-dimensional device simulator,which provides the basic design guidance for metal-gate/high-k/SiO 2 /Si stacked MOSFETs.     

Electrical and memory properties of silicon nitride structures with embedded Si nanocrystals

In this work, the electrical and memory behaviour of metal-silicon nitride-silicon structures with an embedded nanocrystalline silicon layer, which either consists of separated silicon nanocrystals, or is a continuous nanocrystalline layer, are presented. The structures were prepared by low-pressure chemical vapour deposition (LPCVD). The effect of the duration of deposition and the structure of the nanocrystalline layer were studied. The writing/erasing behaviour was similar for all the structures, but the retention properties were much worse in the structure with a continuous nanocrystalline layer, than in the structures with separated Si nanocrystals. This indicates that Si nanocrystals play role in charge storage in the studied structures.     

Properties of a Si₂N molecule under an external electric field

In the present work,we adopt the ccsd/6-31g(d) method to optimize the ground state structure and calculate the vibrational frequency of the Si2N molecule.The calculated frequencies accord satisfactorily with the experimental values,which helps confirm the ground state structure of the molecule.In order to find how the external electric field affects the Si2N molecule,we use the density functional method B3P86/6-31g(d) to optimize the ground state structure and the time-dependent density functional theory TDDFT/6-31g(d) to study the absorption spectra,the excitation energies,the oscillator strengths,and the dipole moments of the Si2N molecule under different external electric fields.It is found that the absorption spectra,the excitation energies,the oscillator strengths,and the dipole moments of the Si2N molecule are affected by the external electric field.One of the valuable results is that the absorption spectra of the yellow and the blue-violet light of the Si2N molecule each have a red shift under the electric field.The luminescence mechanism in the visible light region of the Si2N molecule is also investigated and compared with the experimental data.     

SiGe/Si异质结缺陷的光致发光研究

本文用光致发光(PL)光谱对Si0.87Ge0.13/Si异质结的缺陷进行了研究。对PL光谱中与SiGe外延层应变驰豫产生的失配位错相关的D-Band进行了分析,发现应变驰豫同时在SiGe层和Si衬底中诱生了位错。由于在PL光谱中观察到了D1而没有观察到D2,因此D1,D2很可能并不对应于相同的位错。通过进一步的分析,我们推测引起SiGe/Si异质结的PL光谱中D-Band的位错的微观结构很可能和Si-Si相关。     

农药草甘膦的拉曼光谱计算及分析

草甘膦(glyphosate)是一种高效、低毒、非选择性的芽后除草剂。本文首先给出了草甘膦分子的空间结构图,并用近似方法(Hartree-Fock,HF)对其进行了空间结构优化;然后分别用HF和密度泛函理论(Density Functional Theory,DFT)两种方法基于基组6-31G计算了该分子的振动特性,给出了拉曼光谱和红外光谱强度图,并对比了两种算法的拉曼光谱图和其实验光谱图,结果显示很好的一致性;本文还给出了草甘膦分子的各个键长、键角等空间结构参数,并对草甘膦分子在800cm-1～1600cm-1区间的振动谱做了指认。这些工作将促进针对草甘膦分子的农药残留检测领域的研究。     

Interaction of atomic oxygen (N2O) with a clean Si(001) surface: O adsorption geometries as derived from the O KVV Auger lineshape

The room temperature adsorption of N₂O on the clean Si(001)2 × 1 surface was used as a model system in an Auger electron spectroscopy (AES) study presented in this paper. Earlier experimental and recent theoretical work have provided evidence that this reaction evolves in discernible stages each exhibiting different adsorption geometries for the oxygen atom. In this AES study the intensity ratio of the KL₁L₁ and KL_2,3L_2,3 O Auger transitions, , was measured as a function of the fractional oxygen coverage, θ, and compared with our calculated intensity ratios and binding energy measurements of the O 1s photoelectron from literature. As a result we have found, for the first time, that (θ) can be related to a specific adsorption geometry in the submonolayer range. Moreover, we have found experimental evidence for an intermediate stable O adsorption state on the dimer at low coverage (θ 0.2 monolayer), as proposed earlier from theoretical studies.     

基于非线性最小二乘法的多光谱拟合程序：应用于12CH4谱线参数分析

精确的甲烷分子实验光谱参数在大气科学和天文探测等领域有着广泛的应用,特别是谱线的展宽系数及其温度依赖系数对于甲烷分子浓度廓线的研究尤为重要。精密的实验测量是获得准确谱线参数的重要手段。采用实验测量获取谱线参数时,需要在已知实验条件（浓度,温度,总压力,吸收光程以及气体分子种类的混合比等）的情况下,多次扫描同一波段范围得到多组实验室吸收光谱,然后利用基于非线性最小二乘法的拟合程序处理这些光谱,反演获得所需要的光谱参数。然而,一般常用的单光谱拟合程序处理实验光谱既费时又容易引起拟合过程中的误差传递。针对此问题,采用最小二乘拟合技术和Levenberg-Marquardt迭代算法编写了一款适用于处理由可调谐半导体激光吸收光谱技术（TDLAS）所获得的吸收光谱的多光谱拟合程序。该程序可同时处理多张实验光谱,并基于全局拟合方法获得一套光谱参数。详细介绍了该程序的原理、使用方法及数据处理过程。利用多光谱拟合程序中的Voigt线型处理了2 958～2 959 cm-1波数内甲烷（12CH₄）分子6条跃迁谱线的实验光谱,获得了296.0,251.0,223.0,198.0和173.0 K共5组温度下12CH₄分子6条谱线的空气展宽系数。与之前文献报道的该波段内采用单光谱拟合程序得到的相应数据对比结果表明：获得的各温度下的空气展宽系数与参考文献中相应数据差值的百分比处在-4.97%~1.58%之间,两者数据整体符合较好,并且在30组对比数据中,有4组由单光谱拟合程序得到的空气展宽系数的误差值小于由多光谱拟合程序得到的相应数值,有2组数据显示由两种方法获得的误差值相等,其余24组由多光谱拟合程序获得的数据拟合误差小于由单光谱拟合程序获得的相应数值,表明多光谱拟合程序具有良好的可靠性,适用于气体分子吸收光谱的处理。     

The testing of stress-sensitivity in heteroepitaxy GaN/Si by Raman spectroscopy

In this paper the stress-sensitive features of hexagonal-GaN (H-GaN) and cubic-Si (C-Si) were investigeted. The H-GaN films have been grown on Si (1 1 1) substrates by metal-organic chemical vapor deposition (MOCVD). The Raman peaks of GaN E₂ (high) and Si (TO) have a blueshift when applying displacement-loadings which parallel the (0 0 0 2) plane of H-GaN. According to the relationship between stress changing and Raman peak shifts, the values of compressive stress in both materials were larger with increasing the displacement-loadings. The stress-sensitivity of H-GaN up to 93.5 MPa/μm which higher than C-Si which testing is 467.9 MPa/μm and the nonlinear error σ of GaN films is 0.1639 and Si is 0.0698. The measurement has a great significance to deeply research the piezoelectric polarization of H-GaN in future. This finding is important for the understanding and application of nitride semiconductors.