影响化学机械抛光4H导电SiC晶片表面质量的关键参数研究

选用二氧化硅抛光液抛光4H导电SiC晶片表面,探究影响SiC晶片表面质量的关键参数,获得更高的去除效率和表面质量.实验结果表明,SiC表面的氧化是氢氧根离子和双氧水共同作用的结果.保持压力不变并增加氢氧根离子或双氧水的含量,SiC表面去除速率先增加后保持不变.在更大的压力下增加氢氧根离子的含量,SiC表面的抛光去除速率进一步增加.通过优化的抛光参数,SiC表面的抛光去除速率达到142 nm/h.进一步研究结果表明,保持化学机械抛光过程中氧化作用与机械作用相匹配,是获得高抛光效率和良好的表面质量的关键.表面缺陷检测仪(Candela)和原子力显微镜(AFM)的测试结果表明,SiC抛光片表面无划痕,粗糙度达到0.06 nm.外延后总缺陷密度小于1个/cm2,粗糙度达到0.16 nm.     

Influence of the surface on the properties of macro-and nanocrystals

The influence of the surface energy on the properties of macro-and nanocrystals has been considered. It is shown that the properties of small crystals (several microns and less) depend on their dimensions, which is explained by an increase of the number of surface atoms in the total number of all the atoms in a crystal. On the basis of the energy criterion of crystalline substance amorphization, a formula relating the surface energy of a crystal to its crystal-lattice parameters is derived. The surface energies of elemental crystals are calculated. It is assumed that anisotropy in contact-melting temperature of single crystals can be observed experimentally.     

In-situ second-harmonic generation study of the molecular beam epitaxy growth of GaAs

We report on the first observation of surface second-harmonic generation (SHG) during the molecular beam epitaxy (MBE) growth of GaAs homoepitaxy on a GaAs(100) substrate. We used a specific optical arrangement which enabled us to observe the surface SHG and the reflection high-energy electron diffraction (RHEED) pattern simultaneously. We found that the surface SH intensity increased according to a change from an As-stabilized to a Ga-stabilized surface due to an interruption of the As flux while keeping the Ga flux constant. We show that the surface SH intensity has its maximum value when there is about 1 monolayer (ML) of excess Ga on the surface.     

Size effect on surface structural relaxation kinetics of silica glass sample

It is known that surface structural relaxation takes place more rapidly than bulk structural relaxation, especially in the presence of water vapor. The surface structural relaxation kinetics of the silica glass fiber and plates was compared at 950 °C and the surface structural relaxation kinetics of silica glass fiber was found to be faster than that of the silica glass plate, even though the composition and initial fictive temperatures of the samples were the same. The observed difference of the surface structural relaxation kinetics between silica glass fiber and silica glass plate can be accounted for using a diffusion equation with time-dependent surface concentration. The analysis indicates that there is a general size effect on the surface structural relaxation kinetics, with smaller sized samples exhibiting faster relaxation kinetics.     

Particular artifacts of topographic images of dielectrics in atomic-force microscopy

Particular artifacts of atomic-force microscopy (AFM) images of dielectrics, which are related to the presence of a static charge on the surface, are described. Artificial climate control with the use of a TRACKPORE ROOM-02 climatic box during measurements makes it possible to remove the static charge, owing to which the quality of AFM images and reliability of measured metric surface characteristics increase. Comparative analysis of the surface roughness measured under conventional conditions of microscope operation (static charge is present on a dielectric surface) and under the conditions of controlled artificial climate (static charge is completely removed) is performed. It is established that, in the presence of a static charge on the surface, roughness measurements may yield both overestimated and underestimated values; the largest increase in error is observed in measurements of micro-and nanosized surface areas.     

NbB2（0001）表面性质的第一性原理研究

应用密度泛函理论的第一性原理的方法分析了两种不同终端的NbB2(0001)表面的几何结构和电子结构。结果表明:两种不同终端的(0001)表面结构弛豫主要发生在前三层,并且硼终端的表面弛豫程度小于铌终端表面的弛豫。表面能分析结果表明,终止于硼终端的(0001)表面结构在更宽的范围内具有较低的表面能,即硼终端的(0001)表面比铌终端的表面更稳定。进一步分析NbB2(0001)两种终端表面的电子结构表明:在金属铌和硼之间发生了电子转移,加强了化学键的相互作用,导致第一间层向内弛豫。对于铌终端的表面第一层铌转移到第二层的电子数比硼终端表面第二层铌转移到第一层的电子数多,这是导致铌终端表面弛豫程度大于硼终端表面的主要原因。     

On the surface shape of an X-ray monochromator

It is established that the surface of a monochromator for a point X-ray source in diffractometers is the surface of revolution of a circle arc around the straight line connecting the X-ray source and detector. It is shown that scattering occurs at the points of intersection of the monochromator surface with the set of ellipsoids of revolution, in whose focuses the X-ray source and detector are located. A formula is obtained for calculating the misorientation angle of mosaic blocks. The limits of variation in the angle for Fe \(K_{\alpha _1 } \), Cu \(K_{\alpha _1 } \), and Mo \(K_{\alpha _1 } \) radiations are determined. It is shown that there is no unified continuous reflecting monochromator surface, and the true reflecting surface is fractal.     

离子轰击增强金刚石膜与Si衬底结合力的进一步研究

由于金刚石与Si有较大的表面能差,利用化学气相沉积(CVD)制备金刚石膜时,金刚石在镜面光滑的Si表面上成核困难,而负衬底偏压能够增强金刚石在镜面光滑Si表面上的成核,表明金刚石核与Si表面的结合力也得到增强.本文分析衬底负偏压引起的离子轰击对Si表面产生的影响之后,基于离子轰击使得Si衬底表面产生了微缺陷(凹坑)增大了金刚石膜与Si衬底结合的面积,理论研究了离子轰击对金刚石膜与Si衬底结合力的影响.     

TFSI钝化晶体硅表面性质的第一性原理研究

晶体硅表面钝化是高效率晶体硅太阳能电池的核心技术,直接影响晶体硅器件的性能。本文采用第一性原理方法研究了一种超强酸-双三氟甲基磺酰亚胺(TFSI)钝化晶体硅(001)表面。研究发现,TFSI的四氧原子结构能够与Si(001)表面Si原子有效成键,吸附能达到-5.124 eV。电子局域函数研究表明,TFSI的O原子与晶体硅表面的Si的成键类型为金属键。由态密度和电荷差分密度分析可知,Si表面原子的电子向TFSI转移,从而有效降低了Si表面的电子复合中心,有利于提高晶体硅的少子寿命。Bader电荷显示,伴随着TFSI钝化晶体硅表面的Si原子,表面Si原子电荷电量减少,而TFSI中的O原子和S原子电荷电量相应增加,进一步证明了TFSI钝化Si表面后的电子转移。该工作为第一性原理方法预测有机强酸钝化晶体硅表面的钝化效果提供了数据支撑。     

Growth statics of adsorbates on a one-dimensional surface

The influence of surface defects and impurities on the structure of epitaxial overgrowths is investigated. The calculations are carried out numerically for a one-dimensional surface, considering adsorption of single Lennard-Jones atoms at sites of minimal energy. It is shown that surface steps may hinder heteroepitaxy and depending on their size and bonding characteristics surface contamination causes localized or extended defects, i.e. dislocations.     

Rim formation on crystal faces growing in confinement

A crystal face growing from solution while exerting a normal force on a confining surface is often observed to develop a growth rim surrounding a hollow core. The interpretation has been that this is a manifestation of steady state growth due to the balance between the concentration gradient and stress gradient along the confined crystal surface. In this paper, we present experimental results which show that the growth rim is instead formed as a consequence of faceted growth on the confined surface. Steady state growth is not ensured by a gradient in normal stress, but rather a gradient in step density along the crystal face. The loaded crystal surfaces display a high degree of roughness, and the stress is not uniformly distributed across the surface, but transmitted at discrete asperities. We discuss the implications of these findings for the interpretation of previous experimental results, and for the thermodynamics of crystal growth subject to normal stress.     

Diffusion boundary condition at surface steps

This communication reports a geometrical factor that is necessary in the diffusion boundary condition across surface steps. Specifically, this factor relates adatom concentration to its spatial gradient at a surface step, and it describes the fraction of jump attempts that cross the step. In this communication, the authors show that the factor is 1/π using theoretical formulation and further verify the formulation using numerical simulations for triangular, square, and hexagonal surface lattices.     

Study of X-ray diffraction from a surface acoustic wave in the grazing geometry with allowance for the curvature of the unperturbed crystal surface

Fresnel X-ray diffraction from a concave crystal surface in the presence of a surface acoustic wave (SAW) has been considered for grazing angles of incidence in noncoplanar symmetric Laue geometry. It is shown that the main peak and diffraction satellites are focused at different distances from a crystal. The effect of deviation from the Bragg angle, the spectral line width, and the SAW amplitude on the X-ray diffraction pattern has been analyzed. It is established that the contrast of an X-ray diffraction pattern of an SAW in Bragg-Laue grazing geometry is related to the character of irregularities of the crystal surface, and the pattern details depend on the measurement mode. The sensitivity of the method is about a nanometer. The focal image of the SAW serves as a scale landmark for determining the crystal surface characteristics.     

X-ray scattering from an irregular surface: Two-scale model

X-ray scattering from an irregular surface, which is described within a two-scale model, has been considered. A method for calculating the differential scattering cross section based on the quasi-classical Kirchhoff approximation is proposed. Coherent scattering from a lateral surface with a periodic motif is analyzed, and the reduction factor is calculated; the latter differs from the well-known expressions of the perturbation theory (first Born approximation, distorted-wave Born approximation). It is shown that the surface profile deviations from a periodic law, edge effects, and the interference of waves reflected from surface areas with different inclination angles significantly affect scattering from lateral structures.     

金刚石(001)面在Cu多种覆盖度下的稳定构型与电子特性

金刚石表面的电子特性很容易受到其表面覆盖物的影响,而目前表面稳定、性能优良的表面覆盖层依然处于研究与寻找中。本文研究的过渡金属Cu不仅在半导体微加工中被广泛使用,更由于过渡金属Cu与金刚石都具有优异的散热性能,因此Cu覆盖金刚石已经超出寻常电极使用的意义,其金属-半导体结构更具有表面修饰剪裁电子特性的功能。文中通过使用密度泛函模拟方法,研究了Cu的不同覆盖度(0.25 ML、0.5 ML和1 ML)下金刚石(001)表面的单原子吸附能、稳定构型以及稳定体系的能带结构特性。结果表明,各种覆盖度下的Cu原子在金刚石(001)表面具有较稳定的表面吸附构型,并且过渡金属Cu的覆盖使得金刚石(001)表面产生了约为-0.5~-0.3 eV的负电子亲和势,肖特基势垒高度约为-0.16~0.04 eV,这些理论结果与实验结果基本一致。因此过渡金属Cu作为表面覆盖层在金刚石基电子发射器方面具有重要的应用价值。     

Numerical study of radial temperature distribution in the AlN sublimation growth system

A large radial temperature gradient in the AlN sublimation growth system would lead to non‐uniform growth rate along the radial direction and introduce thermal stress in the as grown crystal. In this paper, we have numerically studied the radial thermal uniformity in the crucible of a AlN sublimation growth system. The temperature difference on the source top surface is insignificant while the radial temperature gradient on the lid surface is too large to be neglected. The simulation results showed that the crucible material with a large thermal conductivity is beneficial to obtain a uniform temperature distribution on the lid surface. Moreover, it was found that the temperature gradient on the lid surface decreases with increased lid thickness and decreased top window size.     

MOVPE生长GaN薄膜的表面吸附和扩散研究

利用量子化学计算方法,对MOVPE生长GaN薄膜的表面反应进行研究.特别针对反应前体GaCH3(简称MMG)在理想、H覆盖和NH2覆盖GaN(0001)面的吸附和扩散进行计算分析.通过建立3×3 超晶胞模型,优化计算了MMG在三种不同覆盖表面的稳定吸附位、吸附能和电子布居,搜寻了MMG在稳定吸附位之间的扩散能垒.计算结果表明:对于三种表面,MMG的稳定吸附位均为T4位和H3位,H3位比T4位略微稳定.MMG在NH2覆盖表面吸附能最大,在H覆盖表面吸附能最小,在理想表面吸附能居中.MMG中的Ga与不同的表面原子形成的化学键的键强的大小顺序为:Ga-N>Ga-Ga>Ga-H.相比于理想表面和H覆盖表面,MMG在NH2覆盖表面的扩散能垒最大,因此表面过量的NH2会抑制MMG的扩散.     

Chemical trend observed in anisotropic surface reflectance spectra of MOVPE by surface photoabsorption

This paper investigates the origin of the surface reflectance spectrum for the group-V-stabilized III–V surface during MOVPE by using surface photoabsorption. A chemical shift is observed for the stoichiometry sensitive peak in the anisotropic spectra of arsenides and phosphides. The peaks observed in the phosphides are located at higher energies than the arsenides, besides the peak in each compound shows a red-shift as the lattice constant increases. To investigate the possibility of the critical point of the bulk energy state appearing in the reflectance spectrum induced by surface modification, the anisotropic spectrum during InAs-on-GaAs heteroepitaxy are measured. One monolayer InAs growth on GaAs results in a drastic change that a peak sign is reversed, accompanied by a red-shift. This can be interpreted by the optical transition change corresponding to the surface conversion from a two-As-layer c(4 × 4)-like surface in GaAs to a one-As-dimer layer having a bond axis perpendicular to the c(4 × 4) As dimer. The contribution of the GaAs bulk electronic state in the reflectance spectrum is not observed. These results support the model that the anisotropic peak originates from an optical transition of the group-V dimer. The anisotropic spectrum measurement also makes it possible to monitor the P/As surface exchange and the As-atom segregation during the InP-on-InAs heteroepitaxy.     

Concentration distribution in crystallization from solution under microgravity

Concentration distribution in crystallization from solution under microgravity is numerically studied. A quasi-steady state growth and dissolution in a 2D rectangular enclosure filled with sodium chlorate (NaClO₃) aqueous solution, in which one wall is the growth surface of the crystal and the opposite one is the dissolution surface, is considered. The solute transport process at the growth surface is described by the diffusion-reaction theory with finite interface kinetics coefficient. The results show that the concentration at the growth surface is supersaturated and the supersaturation distribution is of non-uniformity, i.e. the supersaturation in a region facing an incoming flow is high. On the other hand, the non-uniformity of supersaturation at the growth surface is closely related to the gravity level even under microgravity, it exponentially increases as the thermal Rayleigh number on behalf of the gravity level rises.