高指数稳定硅表面的低能电子衍射图分析

报道了在系统搜寻稳定硅表面的过程中对四个稳定高指数表面Si(1，1，11)，(1，0，8)，(2，1，2)和(15，1，17)的低能电子衍射(LEED)图进行的分析和结果.这些表面经充分退火后都能给出属于各自表面的LEED图，而不是小面化的，说明它们都是稳定的.从它们的LEED斑点强度分布特征不仅可以推断(15，1，17)是主稳定表面，而(1，1，11)，(1，0，8)和(2，1，2)则是副稳定表面，还能知道这些副稳定表面的原胞结构特征，甚至许多重要细节.从原胞结构特征来看，这些副稳定表面有可能用作生长周期量子线的模板.     

Si_3N_4/Si表面Si生长过程的扫描隧道显微镜研究

利用原位扫描隧道显微镜和低能电子衍射分析了Si的纳米颗粒在Si3N4 /Si(111)和Si3N4 /Si(10 0 )表面生长过程的结构演变 .在生长早期T为 35 0— 10 75K范围内 ,Si在两种衬底表面上都形成高密度的三维纳米团簇 ,这些团簇的大小均在几个纳米范围内 ,并且在高温退火时保持相当稳定的形状而不相互融合 .当生长继续时 ,Si的晶体小面开始显现 .在晶态的Si3N4 (0 0 0 1) /Si(111)表面 ,Si的 (111)小面生长比其他方向优先 ,生长方向与衬底Si(111)方向一致 .最后在大范围内形成以 (111)为主的晶面 .相反 ,在非晶的Si3N4 表面 ,即Si3N4 /Si(10 0 ) ,Si晶体的生长呈现完全随机的方向性 ,低指数面如 (111)和 (10 0 )面共存 ,但它们并不占据主导地位 ,大部分暴露的小面是高指数面如 (113)面 .对表面生长过程进行了探讨并给出了合理的物理解释     

稳定In/Si表面的LEED研究

利用LEED图形拟合的方法对大量不同取向In/Si表面的稳定性和小面化进行了研究，新发现了In覆盖度在1/2单层原子以下的三个稳定表面：Si(214)-In，Si(317)-In和Si(436)-In，以及In覆盖度在1单层原子左右的两个稳定表面Si(101)-In和Si(313)-In.此外还确定了In覆盖度在1单层原子左右的6个稳定In/Si表面的家族领地以及In覆盖度在1/2单层原子以下的4个稳定In/Si表面的家族领地.特别值得注意的是 Si(103)-In的家族领地相当大，甚至比最稳定的Si(1 关键词： 硅表面 铟 稳定表面 家族领地     

ATLEED研究6H-SiC(0001)(3~(0.5)×3~(0.5))R30°重构表面

低能电子衍射 (LEED)对 6H SiC(0 0 0 1) (3× 3)R30°表面的研究结果表明 ,该表面有 1/3单层的Si原子吸附在T4 空位上与第一个SiC复合层中的三个Si原子键接 ,它们之间的垂直距离为 0 171nm .通过对该表面 10个非等价垂直入射衍射束的自动张量低能电子衍射 (ATLEED)计算 ,得到“最佳结构”由于表面SiC复合层堆积顺序不同而产生的三种表面终止状态 (surfacetermination)的混合比例为S1∶S2∶S3 =15∶15∶70 ,理论计算与实验I V曲线比较得到可靠性因子RVHT=0 .16 5 ,RP=0 .142 ,表明表面生长符合能量最小化的台阶生长机制     

ATLEED研究6H-SiC(0001)-(3×3)R30°重构表面

低能电子衍射(LEED)对6H-SiC(0001)-(3×3)R30°表面的研究结果表明,该表面有1/3单层的Si原子吸附在T4空位上与第一个SiC复合层中的三个Si原子键接,它们之间的垂直距离为0.171nm.通过对该表面10个非等价垂直入射衍射束的自动张量低能电子衍射(ATLEED)计算,得到“最佳结构”由于表面SiC复合层堆积顺序不同而产生的三种表面终止状态(surface termination)的混合比例为S1∶S2∶S3=15∶15∶70,理论计算与实验I-V曲线比较得到可靠性因子RVHT=0.165,RP=0.142,表明表面生长符合能量最小化的台阶生长机制.     

铒掺杂富硅热氧化SiO2/Si发光薄膜的显微结构

利用金属蒸气真空弧 (MEVVA)离子源将稀土元素Er离子掺杂到富硅热氧化SiO2 /Si薄膜中。卢瑟福背散射 (RBS)和X 射线电子能谱仪 (XPS)分析表明 ,Er浓度可达原子百分数 (x)～ 10 ,即Er的原子体浓度为～ 10 2 1·cm-3 。XPS研究发现 ,随着Si注量增大 ,退火态样品表面硅含量增多 ,热氧化硅含量减少。反射式高能电子衍射 (RHEED)和原子灵敏度因子法 (AFM)研究表明 ,样品表面没有大量Er析出或铒硅化物形成 ,退火后表层中Si外延再生长、有针状微晶硅颗粒形成。在 77K及室温下 ,研究了Er掺杂富硅热氧化SiO2 /Si薄膜的近红外区 1 5 4μm附近光致发光光谱     

Si(113)表面原子结构的低能电子衍射研究

利用低能电子衍射(LEED)研究了离子轰击加退火处理的和淀积外延的两种Si(113)表面的原子结构。发现对于经750—800℃退火后的两种Si(113)表面,当其温度高于600℃时存在1×1非再构表面相。随着样品温度缓慢地冷却至室温,Si(113)-1×1表面经过3×1(约600—400℃)最后转变为3×2再构。当退火温度为600℃时,则只出现3×1再构,室温下的3×2和3×1表面都是很稳定的。讨论了表面杂质对Si(113)表面原子结构的影响。在衬底温度为580℃的Si(113)表面上进行淀积生长,当外延 关键词：     

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。     

锗硅表面结构和动态过程的STM研究

尽管作为微电子工业的基础,硅和锗的表面和界面几十年来一直是研究的热点,但和纳米技术等不断提出的问题相比,对它们的了解仍很不够。为此,最近我们用扫描隧道显微镜和低能电子衍射方法,对锗硅表面的稳定性、宏观小面化、纳米小面化、小面化的规律、稳定表面的比自由能、表面原子结构以及表面和亚表面原子的动态过程进行了大量的系统的研究。文章综述已取得的研究结果。这些结果除具有重要的基础意义外,对半导体异质外延生长衬底选择,以及量子线和量子点自组织生长模板的选择都会有帮助。     

Si3N4/Si表面Si生长过程的扫描隧道显微镜研究

利用原位扫描隧道显微镜和低能电子衍射分析了Si的纳米颗粒在Si₃N₄/Si(111)和Si₃N₄/Si(100)表面生长过程的结构演变.在生长早期T为350—1075K范围内,Si在两种衬底表面上都形成高密度的三维纳米团簇,这些团簇的大小均在几个纳米范围内,并且在高温退火时保持相当稳定的形状而不相互融合.当生长继续时,Si的晶体小面开始显现.在晶态的Si₃N₄(0001)/S 关键词： 氮化硅 扫描隧道显微镜 纳米颗粒     

Elemental composition of β-Sic(001) surface phases studied by medium energy ion scattering

β-SiC surfaces have been investigated in terms of surface composition and reconstruction by medium energy ion scattering (MEIS), Auger electron spectroscopy (AES), and low energy electron diffraction (LEED). A (3 × 2) phase is produced by evaporating Si on a β-SiC surface. Heat treatment at 1065°C causes consecutive transformation into (5 × 2), c(4 × 2), (2 × 1), (1 × 1) and c(2 × 2) phases. Quantitative analysis of MEIS spectra shows that the c(4 × 2) surface has a full silicon topmost layer, whereas the c(2 × 2) surface has a full carbon topmost layer. The (3 × 2) and (5 × 2) phases are believed to originate from additional Si dimer rows on top of a Si terminated crystal.     

Structure investigations on single-crystal gold films

Structure of epitaxially grown gold films of varying thickness (10–1000Å) has been investigated using LEED, AES, resistivity measurements and X-ray diffraction analysis. Silicon 111-oriented crystals, which are prehandled to exhibit \(\sqrt 3 \times \sqrt 3 R 30^\circ \) -supersctructure in the LEED pattern, serve as substrates. The gold films show a homogeneous structure with smooth surfaces and a marked (111)-orientation. The use of silicon substrates, however, is complicated by the fact, that silicon diffuses through the gold films to a small extent even at room temperature.     

A study of the nitridation of silicon surfaces by low-energy electron diffraction and auger electron spectroscopy

Low-energy electron diffraction (LEED) and Auger electron spectroscopy (AES) have been used to study the initial stages of the nitridation of silicon. Most of the experiments involved pressures of 10^?5?10^?7 torr of ammonia and silicon temperatures in the range 800–1100°C. An earlier study of the nitridation of the Si (111) surface, has been extended to allow comparison between the (111), (311) and (100) faces of silicon. These surfaces provide a series of unit meshes with different shapes and symmetries while retaining some common geometrical features. Of particular interest for epitaxial theory is the growth of an impurity induced nitride structure, which is common to both Si(111) and Si (311). This may be explained if the nucleation and orientation of the niti ide are determined by the geometry of localised sites, common to both substrates. Subsequent growth of the nitride layer is then dominated by intra-layer bonding, so that the difference in substrate symmetries has little effect.     

Structural investigations of the Yb  Si(111) - 2x1, 5x1 and 3x1 overlayers

The YbSi interface has been investigated in the sub-monolayer regime employing Ion Scattering Spectroscopy (ISS), Auger Electron Spectroscopy (AES) and Low Energy Electron Diffraction (LEED). Three different structures, YbSi(111) 2x1, YbSi(111) 5x1, and YbSi(111) 3x1, have been established by heat treatments of the interfaces. The structures consist of a stable overlayer of Yb atoms on the Si(111) surfaces. The distance of the Yb atoms to the uppermost layer of Si atoms has been estimated by comparing the YbSi ISS intensity ratio with the predictions of a model based on classical scattering theory and a Thomas-Fermi-Moliére potential. The height of the Yb atoms relative to the substrate toplayer was found to be 1.9 ± 0.3→.     

Hydrogen action in the surface space charge region of highly doped silicon

The action of atomic hydrogen on clean cleaved (1 1 1) surfaces of highly doped silicon samples, both phosphorus ([n] = 2 × 10¹⁹ cm^-3) and boron ([p] = 4 × 10¹⁹ cm^-3) doped has been compared to the case of lightly doped samples ([n] = 1 × 10¹⁴ cm^-3). Once cleaved under ultra high vacuum, the samples were exposed to increasing doses of atomic hydrogen up to saturation. Before and after each hydrogen exposure, the Si(1 1 1) 2 × 1 surface was studied by low energy electron diffraction (LEED) and photoemission yield spectroscopy (PYS). The compared PYS measurements show that H atoms adsorbed on the Si(1 1 1) surface at room temperature do totally compensate the shallow-acceptor impurities (boron) and only partially the shallow-donor impurities (phosphorus) in the space charge region. They also remove the surface dangling bond states. These effects are reversible upon heating under vacuum. Both surface stresses and space charge electric field play a role in this compensation effect.     

Hydrogen adsorption and surface structures of silicon

The adsorption of atomic hydrogen on silicon (111)2 × 1 cleaved, (111) 7 × 7, and (100) 2 × 1 surfaces has been studied by using electron energy loss spectrscopy (ELS) and Photoemission spectroscopy (UPS). On all surfaces the hydrogen removes the “dangling bond” surface state and a new peak in the density of states at lower energies corresponding to the SiH bond is found. The LEED pattern of the equilibrium surfaces (111) 7 × 7 and (100) 2 × 1 is not altered by hydrogen adsorption, while on the cleaved (111) 2 × 1 surface the fractional order spots are extinguished. The Haneman surface-buckling model therefore provides an explanation for the surface reconstruction of the cleaved (111) 2 × 1 surfaces. For the equilibrium surfaces, (111) 7 × 7 and the (100) 2 × 1, the data are consistent with the Lander-Phillips model.     

Growth of silicene layers on Ag(111): unexpected effect of the substrate temperature

The deposition of one silicon monolayer on the silver (111) substrate in the temperature range 150-300 °C gives rise to a mix of (4 × 4), (2√3 × 2√3)R30° and (√13 × √13)R13.9° superstructures which strongly depend on the substrate temperature. We deduced from a detailed analysis of the LEED patterns and the STM images that all these superstructures are given by a quasi-identical silicon single layer with a honeycomb structure (i.e. a silicene-like layer) with different rotations relative to the silver substrate. The morphologies of the STM images are explained from the position of the silicon atoms relative to the silver atoms. A complete analysis of all possible rotations of the silicene layer predicts also a (√7 × √7)R19.1° superstructure which has not been observed so far.     

密度泛函理论研究SinMn (n=2～14)团簇的结构和电子性质

采用密度泛函理论中的广义梯度近似对SinMn (n=2～14) 团簇的几何构型进行优化,并对能量、频率和电子性质进行了计算. 结果表明,当n≥10时,Mn原子完全陷入Si原子形成的笼内.二阶能量差分、分裂能和垂直电离势都表明Si5Mn和Si12Mn是稳定的团簇,且12是团簇的幻数.通过对电子性质的分析发现Si12Mn团簇具有较高的化学稳定性.布局数分析表明,在Si5Mn团簇中Mn原子的磁矩(3.923 μB)是最大的.较多的电荷转移以及Mn原子的4s, 3d态和Si原子的3s, 4p态的较强杂化是导致Mn原子磁矩减小的原因.当n≥7时,SinMn 的总磁矩是1 μB.