Theoretical studies on the band structures of superconducting solid compounds: Nb3X (X=Si, Ge, Sn, Pb)

The band structures of several analogous superconducting A-15 type solid compounds, Nb3X (X=Si, Ge, Sn, Pb), have been calculated by use of the tight-binding method within the Extended Huckel approximation (EHT). By analysis of their energy bands, densities of states and crystal orbital overlap populations, the dependence of the superconducting transition temperatures (Tc) on the electronic structures and bondings is qualitatively elucidated.     

Optical and Electrical Properties of Polymerizing Plasmas and Their Correlation with DLC Film Properties

Diamond-like carbon (DLC) films were grown from radiofrequency plasmas of acetylene-argon mixtures, at different excitation powers, P. The effects of this parameter on the plasma potential, electron density, electron temperature, and plasma activity were investigated using a Langmuir probe. The mean electron temperature increased from about 0.5 to about 7.0 eV while the mean electron density decreased from about 1.2 × 10⁹ to about 0.2 × 10⁹ cm^–3 as P was increased from 25 to 150 W. Both the plasma potential and the plasma activity were found to increase with increasing P. Through actinometric optical emission spectrometry, the relative concentrations of CH, [CH], and H, [H], in the discharge were mapped as a function of the applied power. A rise in [H] and a fall in [CH] with increasing P were observed and are discussed in relation to the plasma characteristics and the subimplantation model. The optical properties of the films were calculated from ultraviolet-visible spectroscopic data; the surface resistivity was measured by the two-point probe method. The optical gap, E _G, and the surface resistivity, _s, fall with increasing P. E _G and _s are in the ranges of about 2.0–1.3 eV and 10¹⁴–10¹⁶ /, respectively. The plasma power also influences the film self-bias, V _b, via a linear dependence, and the effect of V _b on ion bombardment during growth is addressed together with variation in the relative densities of sp² and sp³ bonds in the films as determined by Raman spectroscopy.     

一维等离子体光子晶体的带隙研究

采用时域有限差分方法(FDTD),结合等离子体计算中的分段线性电流密度卷积技术(PLJERC)对一维等离子体光子晶体(1D-PPC)进行了数值模拟,给出了微分高斯脉冲在一维等离子体光子晶体中的传播过程。计算得到的带隙结构与K-P模型方法的结果一致。计算并分析了等离子体频率、介质介电常数、等离子体-介质层的厚度比以及周期厚度对一维等离子体光子晶体带隙结构的影响。     

光折变材料的带隙结构研究

利用光子晶体的概念和时域有限差分方法计算了当光折变材料的空间折射率呈一维正弦变化时其内部的带隙结构情况,表明在光折变材料中存在极窄的光子带隙。最后讨论了折射率(n)、折射率调制幅度(△n)、周期长度(D)及周期数(N)对光子带隙的影响。     

Exploration of the Crystal Structure and Thermal and Spectroscopic Properties of Monoclinic Praseodymium Sulfate Pr2(SO4)3

Praseodymium sulfate was obtained by the precipitation method and the crystal structure was determined by Rietveld analysis. Pr₂(SO₄)₃ is crystallized in the monoclinic structure, space group C2/c, with cell parameters a = 21.6052 (4), b = 6.7237 (1) and c = 6.9777 (1) Å, β = 107.9148 (7)°, Z = 4, V = 964.48 (3) ų (T = 150 °C). The thermal expansion of Pr₂(SO₄)₃ is strongly anisotropic. As was obtained by XRD measurements, all cell parameters are increased on heating. However, due to a strong increase of the monoclinic angle β, there is a direction of negative thermal expansion. In the argon atmosphere, Pr₂(SO₄)₃ is stable in the temperature range of T = 30–870 °C. The kinetics of the thermal decomposition process of praseodymium sulfate octahydrate Pr₂(SO₄)₃·8H₂O was studied as well. The vibrational properties of Pr₂(SO₄)₃ were examined by Raman and Fourier-transform infrared absorption spectroscopy methods. The band gap structure of Pr₂(SO₄)₃ was evaluated by ab initio calculations, and it was found that the valence band top is dominated by the p electrons of oxygen ions, while the conduction band bottom is formed by the d electrons of Pr³⁺ ions. The exact position of ZPL is determined via PL and PLE spectra at 77 K to be at 481 nm, and that enabled a correct assignment of luminescent bands. The maximum luminescent band in Pr₂(SO₄)₃ belongs to the ³P₀ → ³F₂ transition at 640 nm.     

立方氮化硼单晶紫外吸收光谱的研究

对于在高温、高压下合成的人工立方氮化硼(cBN)片状单晶进行了紫外吸收光谱和第一性原理的能带结构研究。实验中采用了UV WINLAB光谱分析仪,数据分析由MOLECULAR SPECTROSCOPY软件进行拟合运算,通过特殊的石英夹具对样品的测试表明cBN的紫外吸收波长限为198 nm,带隙为6.26 eV。结合第一性原理计算的cBN的能带结构和电子态密度的计算,可以证实导致紫外光吸收的过程是价带电子吸收光子到导带的间接跃迁。文章实验结果与目前报道的cBN能带结构中禁带宽度的吻合较好,表明cBN具有良好的紫外特性,是一种具有发展前景的紫外光电和高温半导体器件材料。     

High‐mobility solution‐processed zinc oxide thin films on silicon nitride

A high effective electron mobility of 33 cm² V^–1 s^–1 was achieved in solution‐processed undoped zinc oxide (ZnO) thin films. The introduction of silicon nitride (Si₃N₄) as growth substrate resulted in a mobility improvement by a factor of 2.5 with respect to the commonly used silicon oxide (SiO₂). The solution‐processed ZnO thin films grown on Si₃N₄, prepared by low‐pressure chemical vapor deposition, revealed bigger grain sizes, lower strain and better crystalline quality in comparison to the films grown on thermal SiO₂. These results show that the nucleation and growth mechanisms of solution‐processed films are substrate dependent and affect the final film structure accordingly. The substantial difference in electron mobilities suggests that, in addition to the grain morphology and crystalline structure effects, defect chemistry is a contributing factor that also depends on the particular substrate. In this respect, interface trap densities measured in high‐κ HfO₂/ZnO MOSCAPs were about ten times lower in those fabricated on Si₃N₄ substrates. (© 2014 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)

     

新型风成像干涉仪温度补偿理论研究

简述了高层大气风场被动式遥感探测的基本原理;论述了新型风成像干涉仪宽场、消色差、温度补偿理论,针对目前国际上采用的风成像干涉仪补偿方法的不足,从理论上进行了分析与讨论,给出了四层介质的优化补偿理论和方案.模拟结果表明,该补偿可完全理想地消去单色光的温差,且复色光的温差补偿要比现有的方法提高1—2个量级.该研究为设计宽场、消色差、温度补偿的新型风成像干涉仪和提高风场探测精度提供了重要的理论依据和实践指导.     

基于敦煌场地定标的FY-3 MERSI反射太阳波段在轨响应变化分析

鉴于中分辨率光谱成像仪不能实现反射太阳波段的星上绝对辐射定标,提出了基于地表方向模型、矢量辐射传输模型6SV并联合MODTRAN吸收透过率校正的敦煌场替代定标新方法,4年的同步定标结果表明,除了水汽吸收中心波段之外,定标不确定度小于5%,而多数波段优于3%。以Aqua MODIS为辐射基准的大气顶辐射计算试验表明,正演与卫星观测间的平均偏差在波长<1 μm的窗区波段小于3%,波长>1 μm的小于5%(除了2.1 μm波段);此外,经场地定标的MERSI 表观反射率与MODIS具有很好的一致性。基于多年的场地定标结果发现：可采用二次多项式拟合定标系数的时间变化,进而实现逐天的定标更新;波长<0.6 μm的波段衰变较大,波段8(0.41 μm)入轨第一年的衰变率约为14%;在轨初期衰变最大,一年后趋缓,两年后部分波长>0.6 μm的波段出现响应增加现象。