低温GaN形核层的形核速率对GaN外延薄膜晶体质量的影响

采用金属有机化学气相沉积方法系统研究了在蓝宝石衬底上低温GaN形核层的形核速率对GaN外延薄膜晶体质量的影响机理.利用高分辨X射线衍射仪、原子力显微镜、光致发光光谱和Hall测试仪表征材料的位错密度、表面形貌以及光、电学性能.研究结果表明随着形核速率的增加,GaN形核层更倾向于三维生长模式;当形核速率达到1.92(A)/s时退火后生成尺寸为100 nm宽、32 nm高的均匀形核岛,随后生长的未掺杂GaN外延薄膜层的螺型和刃型位错密度以及黄带峰强度达到最小值,并且其具有最高的载流子迁移率和最低的载流子浓度.     

AlGaN成核层对SiC衬底外延GaN薄膜应力及缺陷影响的研究

研究了成核层生长条件对SiC衬底上GaN薄膜晶体质量和剩余应力的影响.采用AlGaN成核层并提高其生长温度,能明显降低SiC衬底上GaN外延层的缺陷密度和剩余应力.GaN薄膜的高分辨XRD摇摆曲线(0002)和(10-12)面的半峰宽达到161 arcsec和244 arcsec,拉曼频移达到567.7 cm-1.成核层的原子力显微镜结果显示GaN薄膜的晶体质量随着成核岛密度的降低而提高.     

低温AlN插入层的生长温度对AlGaN/GaN量子阱应力弛豫作用的影响

利用高分辨X射线衍射仪(HRXRD)及原子力显微镜(AFM)研究了低温AlN插入层的生长温度对AlGaN/GaN量子阱应力弛豫作用的影响.结果表明,低温AlN插入层不同的生长温度会导致AlGaN/GaN量子阱不同的表面粗糙度及穿透位错密度,并且当生长温度达到640℃时样品中表面粗糙度及穿透位错密度达到最低,同时具有最高的载流子迁移率及带边发光峰强度.在不同的生长温度,低温AlN表面具有不同的表面形貌.不同的表面形貌将直接影响界面处位错主滑移系的开动及位错阻挡机制.通过分析可以得知,低温AlN不同的表面形貌是由于Al原子在不同温度下的不同的迁移机制造成.     

Si(111)外延GaN的表面形貌及形成机理研究

用高温AlN作缓冲层在Si(111)上外延生长出GaN薄膜.通过对薄膜表面扫描电子显微镜(SEM)和高分辨率双晶X射线衍射(DCXRD)的分析,确定缓冲层对外延层形貌的影响,分析解释了表面形貌中凹坑的形成及缓冲层生长温度对凹坑的影响.结果表明:温度的高低通过影响缓冲层初始成核密度和成核尺寸来影响外延层表面形貌.     

多孔GaN薄膜的制备与光学性能研究

将表面沉积有金纳米颗粒的GaN薄膜在H₂与N₂的混合气氛下进行高温退火,成功制备了多孔GaN薄膜。多孔GaN薄膜的表面形貌可通过退火温度、退火时间及金沉积时间等参数进行调控。利用高分辨X射线衍射(HRXRD)和拉曼光谱表征了不同GaN结构的晶体质量,与平面GaN薄膜相比,多孔GaN薄膜的位错密度和残余应力均有所降低,在退火温度为1 000℃时其位错密度最小,应力的释放程度较大。采用光致发光(PL)光谱表征了其光学性质,与平面GaN薄膜相比,多孔GaN薄膜的发光强度显著提高,这可归因于多孔结构的孔隙率增大,有效增加了光的散射能力。此外,通过电化学工作站测试了不同GaN结构的光电流密度,结果表明,具有更大比表面积的多孔GaN薄膜在作为工作电极时,光电流密度是平面GaN薄膜的2.67倍。本文通过高温刻蚀手段成功制备了多孔GaN薄膜,为GaN外延层晶体质量与光学性能的提升及在光电催化等领域中的应用提供了一定的理论指导。     

三维生长温度对非故意掺杂GaN外延层性能的影响

利用金属有机化学气相沉积(MOCVD)技术在蓝宝石(0001)面上生长GaN外延层,并系统研究了三维生长温度对外延层晶体质量和残余应力的影响机理.利用高分辨X射线衍射仪(HRXRD)、原子力显微镜(AFM)、光致发光光谱仪(PL)和拉曼光谱仪(Raman)分别对外延层的位错密度、表面形貌、发光性能和应力情况进行了分析.当三维生长温度分别为1060℃、1070℃和1080℃时,外延层刃位错密度分别为5.09×108/cm3、3.58×108/cm3和5.56×108/cm3,呈现先减小后增大的现象,而螺位错密度变化不显著,分别为1.06×108/cm3、0.98×108/cm3和1.01×108/cm3,同时外延层残余应力分别为0.86 GPa、0.81 GPa和0.65 GPa,呈现逐渐减小的趋势.这可能是由于三维生长温度不同时,外延层生长模式和弛豫程度发生改变所致.     

Si基外延GaN中缺陷的腐蚀研究

本文采用KOH:H2O=3:20～1:25(质量比)的KOH溶液,对Si基外延GaN进行湿法腐蚀.腐蚀后用扫描电子显微镜(SEM)观察,GaN面出现了六角腐蚀坑,它是外延层中的位错露头,密度约108/cm2.腐蚀坑的密度随腐蚀时间延长而增加,说明GaN外延生长过程中位错密度是逐渐降低的,部分位错因相互作用而终止于GaN体内.观察缺陷腐蚀形貌还发现,接近裂纹处腐蚀坑的密度要高于远离裂纹处腐蚀坑的密度,围绕裂纹有许多由裂纹引起的位错.腐蚀坑的密度可以很好地反映GaN晶体的质量.晶体质量较差的GaN片,腐蚀后其六角腐蚀坑的密度高.     

低温AlN插入层降低硅基GaN膜微裂

为了降低MOCVD外延硅基GaN膜层中的应力、减少硅基厚GaN层的微裂;在高温GaN层中插入低温AlN.低温AlN插入层可平衡HT-GaN生长和降温过程引起的张应力,降低厚膜外延层的微裂,已研制出厚度超过1.8微米无微裂GaN外延层.本文重点研究了低温AlN生长温度对HT-GaN材料的影响,给出了较佳的LT-AlN生长温度.采用扫描电子显微镜(SEM),原子力显微镜(AFM)和高分辨率双晶X射线衍射(DCXRD),对样品进行了测试分析.试验和测试结果表明低温AlN的生长温度至关重要,生长温度过低影响GaN晶体质量,甚至不能形成晶体;生长温度过高同样会影响GaN结晶质量,同时降低插入层的应力平衡作用;实验结果表明最佳的LT-AlN插入层的生长温度为680℃左右.     

缓冲层厚度对MOCVD法生长GaN外延薄膜性能的影响

本文研究了低温GaN(LT-GaN)缓冲层表面形貌,其随厚度的变化规律及对随后生长GaN外延膜各项性能的影响.用场发射扫描电镜(SEM)和原子力显微镜(AFM)研究LT-GaN缓冲层表面形貌,发现随着厚度的增加,其表面由疏松、粗糙变得致密、平整,六角GaN小晶粒的数量减少,且取向较为一致.用X光双晶衍射(XRD)、AFM和Hall测量研究1μm厚本征GaN外延薄膜的结晶质量、表面粗糙度、背底载流子浓度和迁移率等性能,发现随着LT-GaN缓冲层厚度的增加:XRD的半高宽FWHMs增大,表面粗糙度先减小后又略有增大,背底载流子浓度则随之减少,而迁移率的变化则不明显.通过分析进一步确认LT-GaN缓冲层的最优生长时间.     

高质量GaN薄膜的MOCVD同质外延生长

采用金属有机化学气相沉积(MOCVD)技术,在GaN自支撑衬底上同质外延生长了GaN薄膜,得到高质量的GaN外延薄膜.X射线衍射(XRD)结果显示其(002)面摇摆曲线半高宽小于100弧秒,原子力显微镜(AFM)照片上能看到连续的二维台阶流形貌,其表面粗糙度小于0.5nm,其位错密度低于106 cm3.     

Modelling of mechanism of agglomeration of KCl crystallization

The article presents an analysis into agglomeration during KCl vacuum crystallization. The theoretical and experimental investigations into the mechanism of agglomeration during mass crystallization result in an extension of the growth phenomena within the known model equations. The basis for this is essentially constituted by the collision model concepts of the theory of floculation in disperse systems. The parameters derived from the microprocess analysis (energy dissipation, content of solids, growth rate of individual grains) lead to model equations which are confirmed by laboratory and test trials.     

Relationship of Morphological Types of Dynamic Forms of Crystals

Crystallography Reports - The relationship of morphological spectra (sets of data on the morphological types of real polyhedral crystals and their probabilities under current physicochemical...     

Development of Pauling's concepts of geometric characteristics of atoms

The evolution of the geometric characteristics introduced by Pauling and their dependence on the specific features of the structure and chemical bonds have been considered. The values of the covalent and van der Waals radii are given as well as their relationships and mutual transitions.     

A review of measurement of thermophysical properties of silicon melt

Measurements of thermophysical properties of Si melt and supplementary study of X-ray scattering/diffraction by the authors' group were reviewed. The values obtained differed variously from those of literature. Density was 2–3% larger, surface tension 20–30% smaller, viscosity up to 40% larger, electrical conductivity 8% smaller, spectral emissivity more or less in good agreement with literature values, and thermal diffusivity a few percent larger. An anomalous density jump was found near the melting point. Surface tension and viscosity also showed anomaly. A strange time-dependent change of density was observed over 3 h after melting. X-ray analyses suggested a slight change in local atom ordering, but showed no sign of cluster formation. An addition of 0.1 at% gallium caused the density jump to disappear, while that of boron caused no change. An EXAFS study of the former melt indicated a strong interaction between Ga and Si atoms as if molecules of GaSi₃ existed. The implications of the measured properties are a possibility of soft-turbulence in an Si melt in a relatively large crucible, a more complicated manner of intake of oxygen depleted molten Si from the free surface region to underneath the growing crystal, and a relaxation of the melt after melting arising from trapped gas species.     

Generation of crystal structures of heteromolecular compounds by the method of discrete modeling of packings

Within the method of discrete modeling of packings, an algorithm of generation of possible crystal structures of heteromolecular compounds containing two or three molecules in the primitive unit cell, one of which has an arbitrary shape and the other (two others) has a shape close to spherical, is proposed. On the basis of this algorithm, a software package for personal computers is developed. This package has been approved for a number of compounds, investigated previously by X-ray diffraction analysis. The results of generation of structures of five compounds—four organic salts (with one or two spherical anions) and one solvate—are represented.     

Velocities of Disappearance and Lifetime of Faces of Growing Crystals

The formulae for absolute R_disap and relative R velocities of disappearance and lifetime τ of faces of growing crystals have been derived for stationary growth. It was shown that the quantities are determined by the relative growth velocity R_A/R_critA of the vanishing face A with respect to the critical growth velocity R_critA and by the geometry of a crystal expressed by the trigonometric functions of interfacial angles β and γ formed between face A and the adjacent faces. R increases and τ decreases with the increase in R_A/R_critA to certain limiting values. The calculations have been verified and illustrated by the experimental results for triclinic potassium bichromate (KBC) crystals. Results enable ones to predict values of velocities of disappearance and lifetimes of undesirable, supplementary faces of any real crystal.     

Dependence of the parameters of equations of viscous flow on chemical composition of silicate melts

The temperature dependence of viscosity of silicate melts is discussed in the framework of the Avramov–Milchev (AM) equation. The composition is described by means of two parameters: the molar fraction, x, and the “lubricant fraction”, l. The molar fraction is the sum of the molar parts x_i of all oxides dissolved in SiO₂, the molar fraction of the latter being 1 ? x. It is shown that, with sufficient precision, two of the parameters of the AM equation can be presented as unique functions of the molar fraction. On the other hand, x is not sufficient to determine properly the reference temperature T_r , at which viscosity is η_r = 10¹³ [dPa.s]. Therefore, additional parameter, “lubricant fraction” l, is introduced. For each of the components, l_i is a product of molar part x_i and a specific dimensionless coefficient 0 ≤ k_i ≤ 1 accounting for the specific contribution of this component to the increased mobility of the system. It is demonstrated that, for l > 0, the reference temperature is related to the “lubricant fraction” l through the reference temperature T_r,SiO2 of pure SiO₂.     

Comparative analysis of two methods of calculation of the orientation of domain walls in ferroelastics

Two types of domain-wall equations are analyzed: the equations derived by the Sapriel method and the equations obtained by interface matching of the thermal-expansion tensor. It is shown that, for W-type domain walls, these methods yield the same equations. For W′-type domain walls, the equations obtained by different methods coincide for proper ferroelastics and differ for improper ferroelastics.     

Mechanism of thermal expansion of structural modifications of zinc pyrovanadate

Crystal chemical characteristics of the α and β modifications of Zn₂V₂O₇ are calculated based on in situ high-temperature X-ray measurements. The expansion of the structure is found to be strongly anisotropic up to the negative volumetric thermal expansion of the α-Zn₂V₂O₇ unit cell in the temperature range of 300–600°С, α _V =–17.94 × 10^–6 1/K. The transformations of the “hard” and “soft” sublattices with an increase temperature and at the phase transition are considered in detail. It is shown that the negative volumetric thermal expansion of α-Zn₂V₂O₇ is due to the degeneracy of the zigzag-like shape of zinc–oxygen columns at constant distances between their vertices.