基于一维光子晶体陷光的超薄晶硅太阳电池研究

先利用有限差分频域法研究了增透膜、Ag底面反射镜对不同厚度超薄晶硅电池光吸收谱的影响,得到最佳的超薄晶硅电池厚度为10～20 μm的结论.然后,针对厚度为12 μm的超薄晶硅电池陷光结构进行了理论优化,得到了增强因子大于2.25的一维光子晶体上表面织构结构.最后,对该电池结构的光生电流密度和倾斜入射光的接收角进行了计算,结果表明:最优的陷光结构可使12 μm的超薄晶硅电池的最大光生电流密度达33 mA/cm2以上,且在入射角为-60°≤θ≤60°的范围内,该电池均能保持较大的光生电流密度.     

近红外宽带全方向反射镜的设计

研究了一维光子晶体的全方向反射镜.用传输矩阵法分析了影响全反镜全方向反射带带宽和位置的因素.利用带隙展宽理论,构建异质结构光子晶体,设计得到了近红外宽带全反射镜.比较发现,Te/SiO2构成的一维异质结构全向带反射特性优于TiO2/SiO2构成的一维异质结构,该反射镜TE偏振波的全方向反射带分布在近红外波段1 001 ～ 2999 nm范围内,TM偏振波的全向反射带分布在1001 ～2323 nm波段范围内,获得的反射率高于98;,而薄膜层数只需要20层.     

光学微腔型a-Si薄膜电池陷光结构设计

先基于频域有限差分法和a-Si材料的有效吸收波长范围,利用光场分布、通光效率和有源层吸收谱等优化了有源层厚度为300 nm的a-Si电池用光学微腔陷光结构的缓冲层厚度和光学微腔通光孔尺寸,并对电池光电流密度谱、总电流密度和电池输出参数进行了计算分析.研究表明:缓冲层厚度为2.6 μm,通光孔直径Φ=D×0.8/8时,电池有源层具有最大的吸收效率;优化电池的短路电流为25.9225 mA/cm2,优于其它陷光结构获得的短路电流.     

采用超薄的GaAs光子晶体吸收层提高太阳能电池的吸收效率

本文提出了一种超薄的GaAs光子晶体吸收层结构.吸收层厚度只有0.2μm,太阳能电池的总厚度只有0.35μm.计算结果表明:当晶格常数T=0.46μm、上表面边长r=0.05μm、下表面边长R=0.1μm、高度为0.2μm时,吸收层的吸收效率较高.在300～700 nm波长范围内,该薄膜太阳能电池的吸收效率比吸收层不含光子晶体的电池提高了61.80;.所设计的薄膜电池结构在波长为300～700 nm、入射角为0°～70°范围内的吸收效率均在60;以上,满足太阳电池对宽频谱、广角度光吸收的要求.     

电磁波在含各向异性材料和磁光材料一维光子晶体中的传输

为研究在含各向异性材料和磁光材料一维光子晶体电磁波传输极化态的变化,把磁光材料作为缺陷层,设计一维光子晶体。利用4×4传输矩阵算法,计算该结构的传输谱。发现在特定的共振波长,输入线性极化电磁波同样输出线性极化电磁波,但输出极化的方向与输入极化方向不同。输出极化的方向决定于输入极化方向,既可以随输入极化同方向变化,也可以反方向变化。研究结果为实现光控制光提供了新的手段。     

Tb3+掺杂BaO-3SiO2发光材料的制备与发光性质

采用溶胶-凝胶法在室温下制备了稀土Tb3+掺杂的以BaO-3SiO2为基质的发光材料,通过DTA-TG、IR、XRD、SEM、激发和发射光谱图对材料的结构和发光性能进行了研究.DTA-TG测试表明,615℃时材料发生晶型转变;IR光谱显示,材料除形成Si-O-Si键外,主要形成Ba-O-Si和Ba-O键;XRD进一步测试证明,主要形成BaSiO3晶体结构.SEM显示,晶体呈四面体和多面体颗粒结构.激发和发射光谱图显示,Tb3+在BaO-3SiO2基质中的掺杂量为2.50mol;,退火温度为800℃,即材料主要以BaSiO3晶体存在时发光最好.即在544nm监测波长下,测得的最佳激发波长为紫外光248 nm,即在248 nm光激发下,材料发射强度高、单色性好的绿光.     

梳状光子晶体滤波器的设计

选用常见的LiF和Si为介质,并在考虑其色散关系的基础上,针对2000 nm的特定波长设计了一普通光子晶体,并将其串联成梳状光子晶体滤波器.数值计算表明该滤波器具有以下特征:在1800~2200 nm的波长范围内有多个滤波通道,普通光子晶体周期N增加,滤波通道数增加,间距变小.串联数M增加,通道位置和其透射率峰值均不变,透射谱原准禁带的底部逐渐下降.N或M增加,滤波通道对应的透射峰的半峰全宽变窄,滤波性能改善.入角度θ>10°时,各通道中心都有蓝移,原特定波长处的移动量较小,而两侧的移动量较大.入射角越大,这些变化越明显.     

AAO纳米光栅结构参数对薄膜硅太阳能电池光吸收的影响研究

以多孔氧化铝(AAO)为模板设计了一种新型的纳米光栅背反射结构.采用微波工作室(CST MWS)软件对该结构进行仿真,研究AAO模板的孔径大小、孔径深度和占空比对薄膜硅太阳能电池光吸收的影响.仿真结果表明,以AAO为模板制备的新型背反射结构能够有效地延长光的传播路径,增加长波长光子的吸收.当孔径大小为157.2 nm,孔深为78.6 nm,占空比为0.5时,效果最佳.这与理论的计算结果相一致.     

含磁单负材料一维光子晶体的隧穿模特性

构造了由磁单负材料A、普通材料B( SiO2)和C(TiO2)组成的(AB)NC(BA)N型一维光子晶体,数值计算结果表明在3100～3700 nm的波长范围内出现了6个隧穿模.这些隧穿模有不同于传统缺陷模的特征:入射角θ、C介质层的位置、光子晶体的周期数N和A、B两层介质的几何厚度都不影响各隧穿模的位置.在θ＞46θ时,长波段的隧穿模消失.磁单负材料的介电常数变化,不影响隧穿模的个数和透射率.A、B两层介质的几何厚度变化量小于5;时,不影响各隧穿模的透射率,而C介质层的几何厚度对隧穿模的位置有影响.C介质层移动的单元数相同,隧穿模的变化也相同.     

基于银纳米颗粒的PCF SERS传感器优化设计

为充分发挥表面增强拉曼散射(SERS)光子晶体光纤(PCF)传感器的应用价值,对实芯PCF的结构、银纳米颗粒结构参数对传感性能的影响进行研究与对比,据此设计出适用于PCFSERS传感的实芯PCF以及银纳米颗粒的形状、大小、间距等参数.经数值计算,入射波长为785 nm时,设计的实芯六孔PCF模场面积可达25.8 μm2,并能够实现单模传输.而半径为38 nm的银纳米球,间距为0.7nm时能够产生最大的SERS增强因子.研究证明,设计的实芯PCF在785 nm输入波长下能够提供理想的活性面积,银纳米颗粒的形状、尺寸、间距对SERS性能影响严重,而且与入射波长有很强的依赖关系.     

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...     

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.     

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.     

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.     

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.