In原子在GaAs(001)表面的成核与扩散研究

近年来,半导体量子点特别是InAs量子点的基本物理性质和潜在应用得到了广泛研究。许多研究者利用InAs量子点结构的改变以调制其光电特性。本文采用液滴外延法在GaAs(001)表面沉积了不同沉积量的In(3 ML、4 ML、5 ML),以研究In的成核机制和表面扩散。实验发现,随着In沉积量的增加,液滴尺寸(包括直径、高度)明显增大。不仅如此,在相同的衬底温度下,沉积量越大,液滴密度越大。利用经典成核理论,计算了GaAs(001)表面In液滴形成的临界厚度为0.57 ML,计算的结果与已报道的实验一致。从In原子在表面的迁移和扩散,以及衬底中Ga和液滴中的In之间的原子互混原理解释了In液滴形成和形貌演化的机理。实验中得到的In液滴临界厚度以及In液滴在GaAs(001)上成核机理,可以为制备InAs量子点提供实验指导。     

基于液滴外延法的Al(In)纳米结构在GaAs(001)的形成机制

采用液滴外延法在GaAs(001)衬底上同时沉积In、Al液滴形成纳米结构,利用原子力显微镜(AFM)对实验样品进行形貌表征,并通过X射线光电子能谱(XPS)与扫描电子显微镜分析In、Al组分比样品表面元素分布。实验结果显示,混合沉积后的表面InAlAs纳米结构密度随着In组分的降低而降低,而单个纳米结构的尺寸变大。SEM与XPS测试结果证明表面的In并没有因为衬底温度过高而全部偏析。根据实验结果推测,In&Al液滴同时沉积到表面形成InAl混合液滴。当液滴完全晶化后纳米结构中心出现孔洞,而产生这一现象的主要原因是液滴向下刻蚀。     

ZnO纳米结构减反射层特性优化及对太阳能电池性能的影响

利用电化学沉积法在铜铟镓硒薄膜太阳能电池表面沉积一层ZnO纳米结构阵列减反射层.通过对沉积电位的操控,实现了对该纳米结构减反射层形貌、光学质量、反射率等特性的优化.在电池表面蒸镀电极后测试电池的电流电压曲线可知,相比于没有减反层的电池,沉积了纳米结构减反射层的电池利用氧化锌纳米结构的亚波长尺寸形成的蛾眼效应有效降低了表面光反射,增加光吸收,从而实现短路电流增加6.2;,电池效率提高了9.9;.     

TiAl过渡层对电弧离子镀沉积TiAlN膜层的影响

利用电弧离子镀,在不锈钢和SiCP增强2024铝基复合材料基底上沉积TiAlN薄膜.结果表明:TiAlN膜层直接沉积在不锈钢基底上,膜层呈[111]择优取向;然而,TiAlN膜层沉积在不锈钢基底的TiAl过渡层上,膜层呈[220]方向择优取向;并且随着过渡层从零开始增厚,TiAlN膜层的织构系数T(111)逐渐减小,而T(200)逐渐增大,但膜层一直以[220]方向择优取向,内应力的存在可能是膜层产生[220]方向择优取向的原因.在复合材料基底TiAl过渡层上沉积,随着负脉冲偏压的增加,TiAlN膜层的择优取向由[111]向[200]转变.在不锈钢基底上,没有TiAl过渡层时,膜层表面相对光滑,大颗粒较少;有了TiAl过渡层,表面大颗粒较多;TiAl过渡层不同沉积时间对膜层表面影响不大,颗粒尺寸相差无几.没有TiAl过渡层时,膜层结合强度很差,有了TiAl过渡层,结合强度明显增加,但结合强度的大小随过渡层沉积时间(厚度)变化.     

分子束外延生长过程中GaAs(001)表面铝液滴的扩散成核过程

量子点的性质主要由其密度及尺寸参数控制,而原子在衬底上的成核运动又决定了量子点的密度、直径、高度等参数,因此研究原子的扩散成核过程对自组装制备量子点具有重要意义。本文通过分子束外延生长技术研究了GaAs(001)表面金属铝液滴的成核过程,发现衬底温度和金属铝沉积速率的变化直接影响了液滴的尺寸、密度以及形状等特征。根据经典成核理论分析GaAs(001)表面金属铝液滴空间分布与几何结构的演化规律,推导得出表面金属铝液滴密度与衬底温度、金属铝沉积速率的关系方程。在此基础上,进一步计算得出液滴形成过程中未成核态、临界成核态、成核态三种亚稳态所包含的最小原子数分别为1个、2个、5个。     

温度对Ga掺杂ZnS纳米结构的形貌及光致发光性能的影响

分别以Zn粉和S粉为原材料,Ga为掺杂剂,Au纳米颗粒为催化剂,采用低温化学气相沉积法(CVD),在Si(l00)衬底上制备了Ga掺杂的ZnS纳米结构.利用X射线衍射仪(XRD)、能量弥散X-ray谱(EDS)、场发射扫描电子显微镜(SEM)和光致发光光谱(PL)等测试手段对样品的结构、成分、形貌和发光性能进行了分析.结果表明:随着温度的升高(450～ 550℃),Ga掺杂ZnS纳米结构的形貌发生了从蠕虫状纳米线到光滑纳米线再到纳米棒的演变,所制备的Ga掺杂的ZnS纳米结构均为六方纤锌矿结构,分别在波长为336 nm和675 nm处存在一个较强的近带边紫外发射峰和一个Ga掺杂引起的微弱红光峰,而其它发光峰均是缺陷引起的.此外,本文还对Ga掺杂ZnS纳米结构的形成过程进行了探讨,并提出了可能的形成机理.     

TiAl过渡层对电弧离子镀沉积TiAIN膜层的影响

利用电弧离子镀，在不锈钢和SiCp增强2024铝基复合材料基底上沉积TiAIN薄膜。结果表明：TiAIN膜层直接沉积在不锈钢基底上，膜层呈[111]择优取向；然而，TiAIN膜层沉积在不锈钢基底的TiAl过渡层上，膜层呈[220]方向择优取向；并且随着过渡层从零开始增厚，TiAIN膜层的织构系数T(111)逐渐减小，而T(200)逐渐增大，但膜层一直以[220]方向择优取向，内应力的存在可能是膜层产生[220]方向择优取向的原因。在复合材料基底TiAl过渡层上沉积，随着负脉冲偏压的增加，TiAIN膜层的择优取向由[111]向[200]转变。在不锈钢基底上，没有TiAl过渡层时，膜层表面相对光滑，大颗粒较少；有了TiAl过渡层，表面大颗粒较多；TiAl过渡层不同沉积时间对膜层表面影响不大，颗粒尺寸相差无几。没有TiAl过渡层时，膜层结合强度很差，有了TiAl过渡层，结合强度明显增加，但结合强度的大小随过渡层沉积时间(厚度)变化。     

薄膜厚度对Ag纳米薄膜结构特性及光学性能的影响

采用密度泛函理论,研究了Ag(111)纳米薄膜的结构稳定性、电子特性及光学性能.结果表明,Ag (111)纳米薄膜原子层厚度增加到13层,即膜厚约为2.8nm时,纳米薄膜表面能趋于稳定,为薄膜能够稳定存在的临界厚度.薄膜表面处原子间为弱离子键作用,层间距变化及表面效应主要集中在表面附近几层.在可见光及红外波段,Ag(111)纳米薄膜的折射率明显高于块体材料而消光系数略高于块体材料;随着薄膜厚度的增加,在该波段,折射率减小,消光系数增加,吸收变大.     

半导体所在纳米线量子结构材料研究方面取得新进展

<正>中国科学院半导体研究所超晶格国家重点实验室研究员牛智川课题组近年来深入系统地研究了In(Ga)As量子点、量子环、纳米线中量子点、纳米线中量子环的自组织外延生长、液滴外延生长方法。最近,课题组查国伟、喻颖等在研究中发现:通过优化GaAs纳米线侧壁淀积Ga液滴成核温度与晶化条件等参数,可以生长出密度与形貌可控量子点、量子环等新奇量子结构,首次发现单根纳米线侧壁形成单个"方形"量子环且具有高品质发光特性。(Nanoscale,10.1039(2013))。他们进一步生长了GaAs/AlGaAs纳米线中的GaAs量子点,以及置于AlGaAs量子环中心并覆盖AlGaAs     

Ba7AgGa5S15:一种新型混合金属硫化物的非线性光学性能研究

采用高温熔融-自发结晶法成功获得一种新型混合金属硫化物Ba7AgGa5S15.该化合物结晶于非中心对称的P31c空间群(No.159),晶胞参数为a=0.964 53(10) nm,c=1.805 9(4) nm,Z=2.其结构是由[Ga4 S10] T2超四面体与[AgS4]四面体共顶点连结形成的含有18元环孔道的三维网状框架,孤立的[Ga(2)S4]四面体填充在孔道中,Ba2+填充在该三维框架结构的空隙当中.第一性原理计算研究了该化合物的电子结构、态密度、双折射率、二阶非线性光学系数,以及倍频密度.结果 表明,该化合物具有大的光学带隙(3.76 eV),其带隙主要由S3p,Ba5d和Ga4s轨道决定;其d33方向上的倍频系数约为AgGaS2的0.4倍,主要倍频贡献来源于[AgS4]和[GaS4]四面体.该研究表明在Ag-Ga-S体系中引入Ba2+,形成的Ba7 AgGa5S15表现出比AgGaS2更宽的带隙,有利于产生高的激光损伤阈值(LDT).     

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.     

Investigation of the Mechanism of Influence of Stress Corrosion on the Development of Macroplastic Instabilities of Aluminum–Magnesium Alloy

Crystallography Reports - Macroscopic jumps of plastic deformation (few percent in amplitude) on creep curves of aluminum–magnesium alloy, caused by a local effect of concentrated solution of...     

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.     

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.     

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.     

A SAXS study of kinetics of aggregation of silica sols

SAXS in situ experiments on the evolution of TMOS solutions during hydrolysis and polycondensation lead to power laws with scaling exponents ≈ 2. It is suggested that this could be the result of the polydispersity of the samples and that only an apparent fractal dimension can be obtained in this way. Kinetic studies tend to indicate that agglomeration in the sol is the result of a diffusion-controlled process.