KMgF3∶Sm2+∶Li+晶体的色心分析

利用提拉法多次生长了KMgF3∶Sm2+和KMgF3∶Sm2∶Li+晶体;在KMgF3∶Sm2晶体结构分析的基础上,通过测试和分析KMgF3∶Sm2+和KMgF3∶Sm2+∶Li+晶体的激发光谱、发射光谱以及衰减曲线,揭示了晶体的7 F0→5D0激发光谱中,680 ～ 682 nm范围内未被揭示的一个激发峰的产生机理.最后得出结论该激发峰是由Li+引起的HA色心,此结论通过355 nm紫外光照射对光谱的影响进一步得到了确认.     

KMgF3:Ni2+晶体的占位、局部结构、吸收光谱和顺磁g因子的统一解释

利用完全对角化方法和强场耦合方案,采用半自洽场(semi-SCF)自由Ni2+的d轨道模型和Ni2+-6X-(x=F,Cl,Br,I)络合物的μ-κ-α模型研究,建立了含有过渡族金属离子的晶体的局域结构与吸收光谱和顺磁g因子之间的定量关系,对KMgF3:Ni2+晶体的占位、局域结构、吸收光谱和顺磁g因子作出了统一解释,预测了KMgF3:Ni2+晶体的光谱精细结构.所得理论计算结果与实验值符合得很好.     

KMgF3晶体的生长研究

本文采用Bridgman方法生长了KMgF3单晶.晶体生长参数:在1130℃、1.5×105Pa Ar气氛条件下,以4.5mm/h的速度下降,下降结束后,以1.5℃/min的降温速度降温到室温,获得了直径10mm,长40mm 的单晶,测定了所获单晶的X射线粉末衍射图谱,讨论了真空条件与惰性气氛条件以及氧含量的控制对晶体生长的影响.     

化学气相法生长ZnO单晶的热动特性研究

研究了ZnO-C体系化学气相法生长ZnO单晶的Zn、CO、O2、CO2、ZnO气体热力学平衡过程,计算发现主要气相物种为Zn,CO.分析了Zn和CO在N2,Ar,He气体中的扩散系数,发现Ar气既可抑制Zn物质流传输,又可减缓Zn扩散系数随温度升高而递减的趋势,是较适宜的外加气体.建立了ZnO单晶气相生长一维传输模型,揭示了Zn的动力学输运过程,获取了三个温度梯度下(氩气背景压力分别为0 atm、0.5 atm、1 atm)Zn的物质流密度,以及温度梯度、背景压力对最大生长速率的影响.     

稀释气体Ar对金刚石薄膜沉积质量的影响

本文探讨了在燃烧焰法沉积金刚石薄膜过程中,稀释气体Ar对沉积质量的影响.发现在成膜过程中适当量的Ar起到增大内焰体积、降低沉积速率和提高晶型质量的作用.文中分析了其原因,并实现了利用Ar来控制高质量金刚石薄膜的生长.     

Cr3+:BeAl2O4单晶的特性及生长工艺的改进

描述了掺Cr3+离子的紫翠宝石(Cr3+:BeAl2O4)单晶的晶体结构、物理性质、晶体的吸收光谱与发射光谱及其激光特性.讨论了用引上法生长Cr3+:BeAl2O4晶体的一些工艺问题中.引上法晶体生长过程中选用较慢的提拉速度、较快的转速和生长较大直径的晶体的工艺参数,能够生长出高质量的Cr3+:BeAl2O4单晶体.我们的实验表明,采用温梯法也能生长出高质量的Cr3+:BeAl2O4单晶.与提拉法相比,温梯法减少了原料对环境的污染;易于实现自动温度程序控制;对缺少自然对流的熔体有相当好的适用性.     

Ar流量对ECR-PECVD制备氢化纳米晶硅薄膜结构及性能影响研究

采用电子回旋共振等离子体增强化学气相沉积(ECR-PECVD)设备制备了氢化纳米晶硅薄膜.通过Raman光谱、XRD和紫外-可见分光光度计的测试分析,研究了Ar/H2对薄膜组织结构和光学性能的影响,并对沉积腔室的等离子体环境进行了系统的诊断.实验发现:少量Ar气的通入有利于提高腔室中的电子温度,保证纳米晶硅薄膜结构的同时提高薄膜的光学带隙宽度.进一步提高Ar气的比例,薄膜明显非晶化,光学性能下降.结合薄膜生长机理和放电气体电离特性对实验结果的产生原因进行了分析.     

CF4气氛中生长Re: LiM(Re=Tm,Ce;M=Lu,Y)F4晶体

本文在CF4气氛中以提拉法成功地生长出高质量的掺入Tm3+、Ce3+的LiLuF4和LiYF4晶体,对比了Ar和CF4气氛中生长的LiYF4晶体的红外光谱特性,讨论了CF4气氛对LiM(M=Y,Lu)F4晶体生长的影响.同时测试了Tm3+、Ce3+在LiLuF4和LiYF4晶体中的有效分凝系数,从离子半径和晶胞畸变的角度,讨论了Tm3+、Ce3+在LiLuF4和LiYF4晶体中有效分凝系数差别的产生原因.     

稀释气体对CVD-SiC纤维性能的影响

在自行设计制造的直流电阻加热CVD装置上制备SiC纤维,研究了CH3SiHCl2-CH3SiCl3-H2-Ar体系中在W芯表面化学气相沉积SiC涂层工艺,考察了稀释气体Ar气含量对化学气相沉积SiC涂层的显微结构的影响。并对涂层表面形貌及成分进行了SEM,XRD分析。结果表明:Ar气不但起到了输送气体源,排出废气、增大流量、使反应室中前后端的反应气体比例尽量保持一致的作用,还一个重要原因是可以很好的平衡空间的温度差。当稀释气体的含量达到25%时,纤维的性能最好。     

FeYO3/Y2O3:1;Eu3+,1;Tb3+粉体的制备及其磁性研究

以FeCl2和KOH为原料采用水热法制备Fe3 O4粉体,然后以氧化钇、氧化铕和氧化铽为原料制备Eu3+,Tb3+共掺杂的Y2 O3荧光粉体,并通过XRD对粉体的物相结构进行分析;然后以三聚氰胺以及所制备的Fe3 O4和Y2 O3:Eu3+,Tb3+粉体为原料,采用微波烧结法在Ar气氛下制备FeYO3/Y2 O3:1;Eu3+,1;Tb3+粉体,并对其磁学性能进行了研究.研究结果表明:当Fe3 O4,Y2 O3:1;Eu3+,1;Tb3+和三聚氰胺比例为1:3:4时,所制备的FeYO3/Y2 O3:1;Eu3+,1;Tb3+粉体的磁力饱和强度为12.299 emu·g-1,磁力最强.     

CsI-LiCl共晶材料的坩埚下降法生长与闪烁性能研究

本文采用坩埚下降法,在真空密封的石英坩埚中成功生长出CsI-LiCl与CsI-LiCl:Na共晶闪烁体。通过扫描电子显微镜(SEM)观察晶体微结构表明该共晶中LiCl相与CsI相存在周期性的层状排列,CsI相的厚度在5 μm左右。共晶样品的X射线激发发射谱显示在CsI-LiCl和CsI-LiCl:Na共晶样品存在缺陷发光,在CsI-LiCl样品中还观察到了纯CsI的自陷激子(STE)发光。CsI-LiCl样品在α粒子激发下的多道能谱中观察到明显的全能峰,这一结果证明CsI-LiCl共晶可用于热中子探测的潜力。     

静电纺丝法制备CeO2微纳米纤维及其除氟性能

以聚丙烯腈(PAN)为载体,六水合硝酸铈[Ce(NO₃)₃·6H₂O]为原料,采用静电纺丝法制备了Ce(NO₃)₃/PAN纤维,在空气中热处理得到CeO₂微纳米纤维,通过XRD、BET和SEM对CeO₂微纳米纤维进行表征。采用静态吸附实验探讨了CeO₂微纳米纤维去除水溶液中氟离子的性能,考察了溶液pH值、初始氟离子浓度及共存阴离子等对吸附性能的影响。结果表明,pH=3时,CeO₂微纳米纤维对F^-的吸附性能最佳,CeO₂吸附量随着F^-浓度的增大呈上升趋势。CeO₂微纳米纤维对F^-的吸附等温线遵循Langmuir模型,二级动力学模型能很好地描述CeO₂微纳米纤维对F^-的吸附过程。CeO₂微纳米纤维的除氟性能优良,可为其实际应用提供理论参考。     

X-ray analysis of sideroxol from <Emphasis Type="Italic">Sideritis leptoclada</Emphasis>

Sideroxol (1), a kaurane diterpene which has the ent-7α,18-dihydroxy-15β,16β-epoxykaurane structure (MW = 320.47, C₂₀H₃₂O₃) was obtained from the acetone extract of Sideritis leptoclada plant as well as from some other Sideritis species. It crystallizes in the orthorhombic space group P2₁, 2₁, 2₁ with a = 10.967(3), b = 24.555(5), c = 6.372(4) Å, Dc = 1.240 g cm⁻³, Z = 4, and refines to R = 0.065 for 721 independent reflections. The skeleton consists of three fused six-membered rings and a five-membered ring with fused epoxide. The six membered rings exhibited slightly distorted chair conformation. In addition to sideroxol, two kaurane and five kaurene diterpenes were isolated from the hexane and acetone extracts of the studied plant.     

Photoluminescence characteristics of Mg- and Si-doped GaN thin films grown by MOCVD technique

We have studied the optical, structural and surface morphology of doped and undoped GaN thin films. The p- and n-type thin films have been successfully prepared by low-pressure MOCVD technique by doping with Mg and Si, respectively. The different carrier concentrations were obtained in the GaN thin films by varying dopant concentrations. Photoluminescence (PL) studies were carried to find the defect levels in the doped and undoped GaN thin films at low temperature. In the undoped GaN thin films, a low intensity and broad yellow band peak was observed. The donor–acceptor pair (DAP) emission and its phonon replicas were observed in both the Si or Mg lightly doped GaN thin films. The dominance of the blue and the yellow emissions increased in the PL spectra, as the carrier concentration was increased. The XRD and SEM analyses were employed to study the structural and surface morphology of the films, respectively. Both the doped and the undoped films exhibited hexagonal structure and polycrystalline nature. Mg-doped GaN thin films showed columnar structure whereas Si-doped films exhibited spherical shape grains.     

New zeotype borophosphates with chiral tetrahedral topology: (H)0.5M1.25(H2O)1.5[BP2O8]·H2O (M = Co(II) and Mn(II))

Two new isostructural open‐framework zeotype transition metal borophosphate compounds, (H)_0.5M_1.25(H₂O)_1.5[BP₂O₈]·H₂O (M = Co(II) and Mn(II)) were synthesized by mild hydrothermal method. The structure of compounds were characterized by single‐crystal X‐ray diffraction which have ordered, alternating, vertex‐sharing BO₄, PO₄, and (MO₄)OM(H₂O)₂ groups with hexagonal, P 6₁ 2 2 (No 178) space group and unit cell parameters for Co a = 9.4960(6) Å, c = 15.6230(13) Å, for Mn a = 9.6547(12) Å, c = 15.791(3) Å, Z = 1 for both of them. TGA/DTA analysis, IR spectroscopy were used for characterization. Magnetic susceptibility measurements for both of the compound indicate strong antiferromagnetic interaction between metal centers. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Solubility of Ag2O into the Na2O–B2O3–Al2O3 system

The solubility of Ag₂O was measured for the Na₂O–B₂O₃ and Na₂O–B₂O₃–Al₂O₃ system with the rotating crucible method and static method, respectively, under air atmosphere at temperatures ranging from 1273 to 1423 K. The contamination of melts from crucibles could be avoided by the rotating crucible method, with which it became possible to measure the solubility of Ag₂O for the Na₂O–B₂O₃ system above the melting point of Ag for the first time. It was found that the addition of Na₂O decreases the solubility of Ag₂O while the addition of Al₂O₃ had little effect on the solubility. The effect of Na₂O and Al₂O₃ on the solubility of Ag₂O is expressed by interaction coefficients and is analyzed in terms of the basicity of melts. The solubility of Ag₂O in Na₂O–B₂O₃–Al₂O₃ melts increased with increased temperature. This phenomena was explained by a small enthalpy change in oxidation of silver.     

Considerations on the structure and physical properties of B2O3-SiO2 and GeO2-SiO2 glasses

Data of density, refractive index and thermal expansion coefficient for B₂O₃-SiO₂ and GeO_2-SiO₂ glasses have been analyzed. The volumes of the structural units are the same found for the vitreous B₂O₃, GeO₂ and SiO₂. The volume of any structural unit is constant over the entire composition region of the glass system. The same has been found for the differential refraction and unit refraction of the structural units in these glasses. Different features are observed for the differential expansion of the structural units. There is a considerable change with composition in the differential expansion of BO₃, GeO₄ and SiO₄ units. The effect is attributed to a change in the asymmetry of vibrations with the number of Si-O-B or Si-O-Ge linkages in the matrix. The thermal expansion coefficient is mainly determined by the contribution of B₂O₃ or GeO₂ in the concerned glasses.     

Molecular structure and crystal packing of uncomplexed 1,6-bis(N-cyano-p-methoxy-anilino)-2,4-hexadiyne, C22H18N4O2

The X-ray crystal structure of 1,6-bis(N-cyano-p-methoxy-anilino)-2,4-hexadiyne, C₂₂H₁₈N₄O₂, is determined. The crystal packing is dominated by phenyl stacking interactions. Weak C–H···N hydrogen bonds help align the molecules. C–H··· hydrogen bonding is not apparent.     

Structural and electrical properties of vapour phase grown Cd1 − xFexTe single crystals

Cd_1 − xFe_xTe single crystals were prepared by vapour phase growth method in the composition range of 0 ≤ x ≤ 0.03. Chemical analysis, surface morphology, structural investigations and electrical properties were carried out by EDAX, SEM, XRD, TEM and transport technique, respectively. Microscopic variations between the target and actual compositions were noticed. Morphology studies revealed that dislocation aided growth is active in the present crystals. TEM and XRD studies confirmed that the samples of all compositions crystallized in zinc blende structure, and the lattice parameters varied almost linearly decreases with Fe content. At room temperature, the resistivity of the Cd_1 − xFe_xTe crystals of all compositions (x = 0.01, 0.015, 0.02, 0.025 and 0.03) lies in the range of 3.5-6.5 M Ω, the activation energies lie in the range of 63-133 meV, and the samples were show the ‘p’ type conductivity.     

空位浓度对纤锌矿CdS电子结构和光学性质影响的第一性原理研究

本文基于密度泛函理论的平面波超软赝势方法,采用第一性原理研究了含Cd空位缺陷CdS和含S空位缺陷纤锌矿CdS的几何结构、能带结构、电子态密度及光学性质。通过计算分析可知,含Cd空位缺陷的CdS体系均为p型半导体,含S空位缺陷的CdS体系跃迁方式均由直接跃迁变为间接跃迁。Cd、S空位缺陷的CdS体系的态密度总能量降低。空位CdS体系相较于本征CdS体系的静介电常数均有提高,并随着空位浓度的增大而增大,Cd空位缺陷体系更为明显,极化能力得到显著提升。空位Cd的CdS体系相较于本征CdS体系在红外波段存在明显的吸收,空位S的CdS体系相较于本征CdS体系在可见光波段存在明显的吸收。