Electronic Structure of Si1-xⅣx/Si Superlattices on Si （001）

We have preformed systematical ab initio studies of the structural and electronic properties of short-period Si1-xⅣx/Si （x = 0.125, 0.25, 0.5, Ⅳ=Ge, Sn） superlattices （SLs） grown along the [001] direction on bulk Si. The present calculations reveal that the Si0.875Ge0.125/Si, Si0.75Ge0.25/Si and Si0.875Sn0.125/Si are the F-point direct bandgap semiconductors. The technological importance lies in the expectation that the direct gap Si1-xⅣx/Si SLs may be used as components in integrated optoelectronic devices, in conjunction with the already well-established and highly advanced silicon technology.     

Intersubband transitions in strained Si/Si1 − xGex/Si quantum wells

The energy subbands in pseudomorphic p-type Si/Si_1 − xGe_x /Si quantum wells are calculated within the multiband effective-mass approximation that describes the heavy, light and split-off hole valence bands. We examine the intersubband transitions in this system and the selection rules are obtained for a light polarization vector parallel or perpendicular to the growth direction. Comparison is made with other theories and experiment.     

Au20Si80 合金类Si结构的模拟研究

采用分子动力学模拟方法研究液态富硅Au20Si80 合金的快速凝固过程.在此基础上,使用双体分布函数、配位数、最大标准团簇、能量和三维可视化等方法研究Au-Si合金在凝固过程中的微观结构规律.结果指出,体系中形成种类繁多的非常规非晶结构,以类Si结构为主.类Si结构具有如下特点:中心原子几乎都为Si;以Si原子为中心的类Si-A、类Si-B、类Si-C、类Si-D配位数为5,其外围原子元素组成类型主要为4个Si和1个Au;以Si原子为中心的类Si-E配位数为4,其外围原子元素组成类型主要为4个Si;五种类Si结构的稳定性程度由高到低顺序依次为类Si-E、类Si-B、类Si-C、类Si-A、类Si-D.这为研究过渡金属与半导体组合的非晶结构提供新的分析思路和方法     

非晶Si和非晶Si基合金半导体的g因子计算

本文采用改进的CNDO/2(Semi Empirical Hartree-Focu of Complete Neglect of Diffe-rential Overlap)分子轨道方法计算了非晶Si和非晶Si基合金半导体的顺磁共振朗德劈裂因数(g值),讨论了晶格弛豫对g值的影响。计算结果与实验符合。 关键词：     

Enhanced electroluminescence from nanocrystallite Si based MOSLED by interfacial Si nanopyramids

The interfacial Si nano-pyramid-enhanced electroluminescence (EL) of an ITO/SiO_x/p-Si/A1 metal-oxide- semiconductor (MOS) diode with turn-on voltage of 50 V,threshold current of 1.23 mA/cm~2,output power of 16 nW,and lifetime of 10 h is reported.     

不用Si的太阳能电池

Si太阳能电池的基本结构是pn结 .能量大于禁带宽度的光子可在 pn结中激发出电子 -空穴对 .在 pn结内电场的作用下 ,电子向n侧迁移 ,空穴向 p侧迁移 .结果 p侧的电势高于n侧 ,对外电路而言 ,光 -伏电流将从p端流向n端 .在Si光电池中 ,pn结担当了多种角色 :光能吸收、电子 -空穴对的产生、内场建立以及传输电流等 .为此 ,对材料的纯度要求特别高 ,以至于它的造价一直居高不下 .最近 ,来自美国加州大学的McFarland等 ,采用在TiO2 半导体基片上镀制金膜的办法 ,发展了一种全新的光生伏打电池 (Nature ,2 0 0 3,4 2 1:6 16 ) .它的核心是TiO2…     

Preferential etching of Si–Si bond in the microcrystalline silicon germanium

Hydrogenated microcrystalline silicon germanium (μc-Si_1?xGe_x:H) films were investigated as a bottom cell absorber in multi-junction solar cells. μc-Si_1?xGe_x:H films were prepared using very high frequency (VHF, 60 MHz) plasma enhanced chemical vapor deposition (PECVD) systems working pressure of about 1.5 Torr. The precursor flow rates were carefully controlled to determine the phase transition point and to improve the crystallinity of μc-Si_1?xGe_x:H. A relatively high plasma power was necessary to have the high hydrogen (H₂) dilution. Raman spectroscopy study showed transition steps from amorphous to microstructure morphology as hydrogen dilution increasing. Crystallite Si–Ge and Ge–Ge bonds were occurred at relatively higher H₂ dilution compare to crystallite Si–Si bond. The rapidly increased Ge content as increasing the H₂ dilution is believed mainly due to the different decomposition rate of silane (SiH₄) and germane (GeH₄). The other reason of high Ge content even at the low GeH₄ precursor flow rate is probably due to the preferential etching of silicon atom by H₂. The preferential etching of Si–H possibly occurred in very highly concentrated H₂ plasma due to the preferential attachment of Si–H. The compositions of μc-Si_1?xGe_x:H films measured using RBS were Si_0.83Ge_0.17, Si_0.67Ge_0.33 and Si_0.59Ge_0.41 at H₂/SiH₄ flow rate of 60, 80 and 100, respectively. μc-Si_1?xGe_x:H films showed the dark (σ_d) and photo conductivity (σ_p) of about 10^?7 and 10^?5 S/cm, respectively and photo response (σ_p/σ_d) was about 10². This study will present the comprehensive evaluation of crystallization behavior of μc-Si_1?xGe_x:H films.     

Si1—xGex／Si脊形波导X型分支器的研制

采用分子束外延方法制作低损耗Ｓｉ１－ｘＧｅ／Ｓｉ异质结脊形光波导，在Ｘ型交叉波导上实现了Ｓｉ１－ｘＧｅｘ／Ｓｉ光分支器的功能，设计中采用了ＳｉＧｅ大截面脊形波导的单模条件和交波导传输特性分析的结果。Ｘ型光分支器的实现为进下Ｓｉ１－ｘＧｅｘ／Ｓｉ光开关和光电调制器积累了经验。     

应变Si/(001)Si1-xGex空穴有效质量各向异性

基于应变Si/(001)Si1-xGex材料价带E(k)-k关系模型,研究获得了其沿不同晶向的空穴有效质量.结果表明,与弛豫材料相比,应变Si/(001)Si1-xGex材料价带带边(重空穴带)、亚带边(轻空穴带)空穴有效质量在某些k矢方向变化显著,各向异性更加明显.价带空穴有效质量与迁移率密切相关,该研究成果为Si基应变PMOS器件性能增强的研究及导电沟道的应力与晶向设计提供了重要理论依据.     

Vibrational and Light-Emitting Properties of Si/Si1−xSnx Heterostructures

Multilayer heterostructures Si/Si_1−xSn_x grown by molecular beam epitaxy on Si (001) substrates have been studied by Raman and photoluminescence spectroscopy. Raman spectra exhibit peaks corresponding to the vibrations of Si-Sn and Sn-Sn bonds; the vibrations of Sn-Sn bonds imply the presence of tin nanocrystals in heterostructures. Two photoluminescence bands at 0.75 eV (1650 nm) and 0.65 eV (1900 nm) have been observed in heterostructures at low temperatures. The former band can be attributed to optical transitions in quantum wells in the type II heterostructure Si/Si_1−xSn_x. The latter band can be associated with excitons localized in tin nanocrystals.

     

Adsorption and diffusion of Si adatom near single-layer steps on Si surface

By use of the empirical tight-binding （ETB） method, the adsorption and diffusion behaviours ot single sllmon adatom on the reconstructed Si（100） surface with single-layer steps are simulated. The adsorption energies around the SA step, nonrebonded SB step, rebonded SB step, and rough SB step with a kink structure are specially mapped out in this paper, from which the favourable binding sites and several possible diffusion paths are achieved. Because of the rebonded and kink structures, the SB step is more ~uitable for the attachment of Si adatom than the SA step or defective surface.     

第一性原理研究应变Si/(111Si1-xGex能带结构

基于密度泛函理论框架的第一性原理平面波赝势方法对双轴应变Si/(111)Sil1-xGex(x=0.1-0.4)的能带结构进行了研究,结果表明:导带带边六度简并没有消除;应变部分消除了价带带边的简并度;导带带边能量极值k矢位置和极值附近可由电于有效质量描述的能带形状在应变条件下几乎小变;价带极大值附近可由空穴有效质量描述的能带形状随着x有规律地变化.此外,给出的禁带宽度与x的拟合关系同KP理论计算的结果一致,该量化数据对器件研究设计可提供有价值的参考.     

优质GaAs/Si和AlGaAs/Si材料的MOCVD生长研究

用自制常压MOCVD装置,在Si衬底上生长GaAs和AlGaAs外延层,在高温去除Si衬底表面氧化膜之后,采用两步法,即低温生长过渡层,再提高温度生长外延层。得到了表面镜面光亮的优质GaAs和AlGaAs外延层。X射线双晶衍射仪测试GaAs外延层,其回摆曲线半峰宽是200孤秒,GaAs和AlGaAs外延层在77K温度下,PL谱半峰宽分别是17meV和24meV。     

Electroluminescence from Si／SiO2 films deposited on p—Si substrates

The structure of Au/Si/SiO₂/p-Si has been fabricated using the magnetron sputtering technique. It has a very good rectifying behaviour. Visible electroluminescence (EL) has been observed from the Au/Si/SiO₂/p-Si structure at a forward bias of 5V or larger. A broad band with one peak around 650－660 nm appears in all the EL spectra of the structure. The effects of the thickness of the Si layer in the Si/SiO₂ films and of the input electrical power on EL spectra are studied systematically.     

稀土元素Ce热引入Si单晶中及Ce在Si中的扩散系数

利用真空淀积和真空热处理(1050℃,20h)向Si单晶中引入了稀土元素Ce,热处理过程中Ce首先与Si形成合金,然后向Si中扩散,于是在Si中形成Ce的扩散层。用二次离子质谱(SIMS)技术测定了Ce的纵向相对浓度分布,并据此分析了Ce在Si中的扩散系数。并在77—450K范围内测量了扩散层的平均电导率。 关键词：     

Ⅲ–Ⅴ/Si Hybrid Laser Array with DBR on Si Waveguide

We report an eight-channel silicon evanescent laser array operating at continuous wave under room temperature conditions using the selective-area metal bonding technique.The laser array is realized by evanescentl.y coupling the optical gain of InGaAsP multi-quantum wells to the silicon waveguides of varying widths and patterned with distributed Bragg reflector gratings.The lasers have emission peak wavelengths in a range of 1537-1543 nm with a wavelength spacing of about 1.0 nm.The thermal impedances Z_T of these hybrid lasers are evidently lower than those DFB counterparts     

氧化SiGe/Si多量子阱制备Si基SiGe弛豫衬底

SiGe弛豫衬底是制备高性能Si基SiGe光电子器件的基础平台。本文通过1050℃不同时间氧化SiGe/SiMQW材料,分析氧化过程中Ge组分、弛豫度的变化趋势,制备位错密度低、表面平整、弛豫度超过60%的Si基Si0.75Ge0.25缓冲层。     

Nanoscale ion-beam mixing in Au–Si and Ag–Si eutectic systems

MeV ion induced mixing in the nanoscale regime for Au and Ag nanoislands on silicon substrates has been studied. Au and Ag nanoislands are grown on silicon substrates at room temperature and irradiated with 1.5-MeV Au²⁺ ions at various fluences. Cross-sectional high-resolution transmission electron microscopy and Rutherford backscattering spectrometry (RBS) are used to study the ion-beam mixing in Au/SiO_x/Si and Ag/SiO_x/Si systems. We observe a metastable mixed phase for the Au–Si system at a fluence of 1×10¹⁴ ionscm^-2, while no mixed phase is formed for the Ag–Si system. For both Au–Si and Ag–Si systems, a part of the islands is pushed into the substrate. The mixed phase of the Au–Si system is found to be crystalline in nature. The higher eutectic temperature and lower heat of mixing of the Ag–Si system compared to the Au–Si system could be responsible for the lack of mixing and silicide formation in the Ag–Si system. PACS 61.80.Jh; 61.82.Rx; 68.37.Lp; 64.75.+g; 61.46.+w