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.     

SrO/Si(100)表面去氧过程的研究

借助高温扫描隧道显微镜和光电子能谱技术,深入研究了SrO/Si(100)表面向Sr/Si(100)再构表面的动态转化过程.Sr/Si(100)再构表面在硅基氧化物外延生长中起重要作用.在该动态转化过程中,样品在500 ℃的退火温度下,表面出现SrO晶化的现象;在550—590 ℃的退火温度下,SrO/Si(100)开始向Sr/Si(100)转化,界面和表面上的氧以气态的SiO溢出,使得表面出现大量凹槽状缺陷.并且在此动态转化过程中表面的电子态表现出金属特性,这是由于表层硅原子发生断键重排,从而在表面出现悬 关键词： SrO/Si表面 Sr/Si表面 扫描隧道显微镜 去氧过程     

吸附Al,Sn后Si(111)面的电子结构及其比较

通过对吸附原子和衬底Si原子由于相互作用而产生的轨道交叠占有几率(OOP)和集团态密度的分析发现吸附Al和吸附Sn的Si(111)面能带中电子的占据状态很不一样,Si(111)3^1/2×3^1/2-Sn中有一个半充满的表面带,从而使体系具有表面金属性。而Si(111)3^1/2×3^1/2-Al中电子填满吸附原子和表面Si原子成键的表面态,反键的表面态全空,因此吸Al后的Si(111)面可能出现半导体特性。计算结果与实验结果 关键词：     

Growth and Characterization of Trumpet-Shaped ZnO Microtube Arrays on Si Substrates

Aligned trumpet-shaped zinc oxide microtube arrays have been successfully prepared on silicon （100） substrates via the chemical vapour deposition method with a mixture of ZnO and active carbon powders as reactants. The results show that two types of trumpet-shaped ZnO microtubes can be obtained. A plausible growth mechanism based on the studies of scanning electron microscopy （SEM）, transmission electron microscopy （TEM）, x-ray diffraction （XRD）, and room-temperature photoluminescence spectroscopy is proposed and discussed. The initial metastable zinc-rich ZnOx embryos play a key role in the formation of trumpet-shaped ZnO microtubes. On the different surfaces of metastable zinc-rich ZnOx （x 〈 1）, embryos exhibit different stabilities and resistivities to oxidation; these tiny embryos are gradually extended with different growing rates along the directions of its long axis and circular boundary around its oxide shell. Just this special reason creates the formation of trumpet-shaped microtubes and results in the inerratic and imperfect hexagonshaped cross section that appears. Moreover, the analytical results also show that the as-synthesized ZnO microtube arrays can exhibit better room-temperature photoluminescence behaviour.     

First-Principles Calculations of Atomic and Electronic Properties of T1 and In on Si（111）

The atomic and electronic structures of T1 and In on Si（111） surfaces are investigated using the firstprinciples total energy calculations. Total energy optimizations show that the energetically favored structure is 1/3 ML T1 adsorbed at the T4 sites on Si（111） surfaces. The adsorption energy difference of one T1 adatom between （√3 × √3） and （1 × 1） is less than that of each In adatom. The DOS indicates that TI 6p and Si 3p electrons play a very important role in the formation of the surface states. It is concluded that the bonding of TI adatoms on Si（111） surfaces is mainly polar covalent, which is weaker than that of In on Si（111）. So T1 atom is more easy to be migrated than In atom in the same external electric field and the structures of T1 on Si（111） is prone to switch between （√3 × √3） and （1 × 1）.     

Si｛111｝的吸附表面结构

利用低能电子衍射研究了金属和非金属吸附在Ｓｉ｛１１１｝表面的表面结构。结果显示出：对Ａｌ、Ｇａ、Ｂｉ和Ａｕ原子，形成α－Ｓｉ｛１１１｝３×３Ｒ３０°－Ｍ或β－Ｓｉ｛１１１｝３×３Ｒ３０°－Ｍ结构的共价吸附。对Ｌｉ、Ｎａ和Ａｇ原子，形成正离子吸附，全部经高温解吸后，便诱导出Ｓｉ｛１１１｝１×３重构。对Ｔｅ原子，形成负离子吸附，经高温解吸后，便诱导出Ｓｉ｛１１１｝类（１×１）结构。     

Atomic-Scale Study of Ge-Induced Incommensurate Phases on Si（111）

Two Ge-induced incommensurate phases, γ and β, on Si（111） are observed and studied by {／it in situ} scanning tunneling microscopy. The γ phase consists of aligned triangular domains whose stacking sequence is faulted with respect to the Si（111）-1×1 surface. The β phase consists of two kinds of triangular domains whose stacking sequences are faulted and unfaulted with respect to the Si（111）-1×1 surface, respectively. In the β phase, two types of domain walls, zigzag＇＇ and face-to-face＇＇, form to release the strain. The triangular domains all exhibit a quasi-1×1 hexagonal close-packed structure. By studying the structural evolution from magic clusters to incommensurate structures, the structure models for γ and β phases are proposed.     

C20与Si(100)-(2×1)重构表面相互作用的计算机模拟研究

用分子动力学的方法模拟研究了低能C20与Si(100)-(2×1)重构表面的相互作用过程.将描述C、Si结构的Tersoff势和描述原子间短程排斥的KrC势相结合,建立了一个混合势作为原子间的相互作用模型.荷能C20垂直轰击到Si(100)-(2×1)表面后,由于在<110>方向受到非对称力场的作用而产生横向的集体运动,改变的入射能量导致C20与Si(100)-(2×1)表面最接近的垂直距离不同,从而受到不同的横向力场的作用而产生不同的表面运动特性.C20能量耗尽后稳定吸附在Si(100)-(2×1)表面,且只有两个稳定吸附位置,即二聚体(dimer)和"峡谷"(trough)位,这两个吸附位置的存在可用C20与Si(100)-(2×1)表面之间非对称的表面力场分布来定性解释.最终C20与Si(100)-(2×1)表面有强烈的化学键形成.模拟结果与STM的实验观察结果进行了比较.     

用低能电子衍射研究氢在Si(100)表面吸附引起的相变

描述了用低能电子衍射(LEED)研究不同温度下在Si(100)-c(8×8)表面吸氢引起的一系列相变过程。实验发现:在液氮温度下,在Si(100)-c(8×8)表面连续吸氢将引起表面经Si(100)-(4×1)-H向(2×1)-H最终向(1×1)-H转变;而在从700℃到室温间的不同温度下饱和吸氢,实验中观察到:Si(100)-c(8×8)表面将先转变至Si(100)-c(4×4)-H,然后至(2×1)-最终至(1×1)-H。     

不同温度下Si(001)表面各种亚稳态结构的分子动力学模拟

采用Stillinger-Weber势对不同温度下解理Si(001)表面的原子几何结构进行等温分子动力 学模拟.模拟结果表明Si(001)表面除主要的p(2×1)结构之外，较低温度下还会有双悬挂键 的单原子结构存在；较高温度下表面还会存在c(2×2)和三聚体等亚稳态结构；接近表面熔 化温度时，双悬挂键单原子、c(2×2)和三聚体等亚稳态结构都消失，表面只存在稳定的p(2 ×1)结构. 关键词： 分子动力学模拟 表面结构 Si(001)表面 Stillinger-Weber势     

He注入单晶Si表面形貌的变化研究

沿Si的（100）面注入He离子, 能量为30 keV、 剂量为5×1016 ions/cm2。 注入后样品切成几块, 在真空炉中分别做退火处理, 退火温度从600 ℃到1 000 ℃, 退火时间均为30 min。 利用原子力显微镜研究了各个样品表面形貌的演化。 发现样品表面形貌与退火温度相关联。 假设在气泡中He原子与空位的比值很高, 导致样品内部存在高压的He泡, 从而使样品表面形貌发生变化。 探讨了在Si中He泡随退火温度的演化和He原子在材料中的释放机制及其对表面的影响。     

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.     

Ar环境气压对脉冲激光烧蚀制备纳米Si晶粒平均尺寸的影响

采用XeCl脉冲准分子激光器，烧蚀高阻抗单晶Si靶，在1—500 Pa的Ar气环境下沉积制备了纳米Si薄膜. x射线衍射谱测量证实，纳米Si晶粒已经形成.利用扫描电子显微镜观测了所形成纳米Si薄膜的表面形貌，结果表明，随着环境气压的增加，所形成的纳米Si晶粒的平均尺寸增大，气压为100 Pa时达到最大值20 nm，而后开始减小. 从晶粒形成动力学角度，对实验结果进行了定性分析. 关键词： 纳米Si晶粒 脉冲激光烧蚀 表面形貌     

异质多晶SiGe栅应变Si NMOSFET物理模型研究

结合了“栅极工程”和“应变工程”二者的优点, 异质多晶SiGe栅应变Si MOSFET, 通过沿沟道方向使用不同功函数的多晶SiGe材料, 在应变的基础上进一步提高了MOSFET的性能. 本文结合其结构模型, 以应变Si NMOSFET为例, 建立了强反型时的准二维表面势模型, 并进一步获得了其阈值电压模型以及沟道电流的物理模型. 应用MATLAB对该器件模型进行了分析, 讨论了异质多晶SiGe栅功函数及栅长度、衬底SiGe中Ge组分等参数对器件阈值电压、沟道电流的影响, 获得了最优化的异质栅结构. 模型所得结果与仿真结果及相关文献给出的结论一致, 证明了该模型的正确性. 该研究为异质多晶SiGe栅应变Si MOSFET的设计制造提供了有价值的参考. 关键词： 异质多晶SiGe栅 应变Si NMOSFET 表面势 沟道电流     

Hydrogen Passivation Effect on Enhanced Luminescence from Nanocrystalline Si/SiO2 Multilayers

Nanocrystalline Si/SiO2 multilayers are prepared by thermally annealing amorphous Si/SiO2 stacked structures. The photoluminescence intensity is obviously enhanced after hydrogen passivation at various temperatures. It is suggested that the hydrogen trapping and detrapping processes at different temperatures strongly influence the passivation effect. Direct experimental evidence is given by electron spin resonance spectra that hydrogen effectively reduces the nonradiative defect states existing in the Si nanocrystas/SiO2 system which enhances the radiative recombination probability. The luminescence characteristic shows its stability after hydrogen passivation even after aging eight months.     

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