Al2O3衬底上生长ZnO薄膜的结构和光学特性

用脉冲激光沉积法在Al2O3(0001)衬底上沉积了ZnO薄膜.衬底温度分别为300℃、400℃、500℃、600℃和700℃.利用X射线衍射(XRD)和光致发光谱(PL)对薄膜的结构和光学性能进行研究.X射线衍射的结果表明在不同温度下生长的ZnO薄膜均具有高度c轴择优取向,衬底温度400℃时,膜的应力较小质量较高.ZnO薄膜有很强的紫外发光峰,紫外发光峰的强度与衬底温度密切相关,并发现当衬底温度从300℃增到400℃时,紫外发射峰出现6nm的蓝移.     

不同缓冲层对ZnO薄膜的性能影响

用射频反应磁控溅射法在玻璃基底上分别以SnO2、SiO2和Al2O3为缓冲层制备ZnO薄膜.利用X射线衍射仪(XRD)、扫描电镜(SEM)、紫外-可见分光光度计和荧光分光光度计对薄膜的结构和光学性能进行了表征.XRD和SEM的分析结果表明,在SiO2和Al2O3缓冲层上生长的ZnO薄膜具有较好的c轴择优取向,薄膜表面光滑平整,薄膜的结晶质量得到改善;透射光谱表明所有样品在可见光范围内的平均透过率超过70;;通过对薄膜光致发光谱的分析,认为422 nm左右的紫峰来自于电子从晶粒边界的界面缺陷能级到价带的辐射跃迁;PL谱中蓝光和绿光的发光机制与薄膜中的本征缺陷有关.     

水热法ZnO单晶的缺陷和光学特性研究

运用电感耦合等离子体原子发射光谱仪(ICP-AES)分析了比较了水热法ZnO晶体+c及-c部分的杂质,用四探针法比较了两部分的电阻率.结果表明, 晶体+c部分杂质含量少于-c部分,且前者电阻率明显高于后者.比较了Xe灯激发下两部分的光学性质,用氧气和氢气分别对+c部分ZnO进行处理,并进一步用He-Cd激光器对晶体的光学性能进行了研究,分析表明ZnO晶体416 nm左右的蓝光发射来自导带到锌空位(VZn)浅受主能级的跃迁,490 nm的蓝绿光发射与锌填隙(Zni)有关,540 nm附近的黄绿光发射与氧填隙(Oi)形成的能级有关.     

Si(111)衬底上ZnO薄膜的磁控溅射法制备及表征

采用磁控溅射法在(111)单晶硅衬底上沉积了ZnO薄膜,并研究了退火温度对ZnO薄膜晶体质量、晶粒度大小、应力和光致发光谱的影响.X射线衍射(XRD)表明薄膜为高度c轴择优取向.不同退火温度下的ZnO薄膜应力有明显变化,应力分布最为均匀的退火温度为500℃.室温下对ZnO薄膜进行了光谱分析,可观测到明显的紫光发射(波长为380nm左右).实验结果表明,用磁控溅射法在单晶硅衬底上能获得高质量的ZnO薄膜.     

CdS量子点敏化ZnO薄膜的制备及其性能研究

本文以Zn(CH3COO)2·2H2O、CdCl2和硫脲的水溶液分别为前驱体,采用超声喷雾热解法在ITO导电玻璃上成功的制备了CdS量子点敏化ZnO薄膜(ZnO∶ CdS).通过扫描电镜(SEM),X射线衍射(XRD),光致发光(PL)谱和吸收光谱对CdS量子点敏化ZnO薄膜形貌,结构和光学性能进行了研究.SEM图表明CdS量子点已成功沉积到ZnO薄膜上,量子点呈颗粒状,直径约71 nm.XRD结果显示,除观察到原有的ZnO特征峰外,在2θ=30.3°处有一明显的特征峰,对应着CdS的(111)晶面.PL谱图表明在325 nm的光激发下,CdS量子点敏化ZnO薄膜在400 nm处有一较强的紫外发射峰,在500～700 nm处有一个较宽的黄绿发射带.吸收光谱表明,CdS量子点敏化后ZnO薄膜在可见光区的吸收边为586 nm.     

ZnO∶Er薄膜的结构和发光特性研究

本文研究了用电子束分蒸技术制备的ZnO∶Er薄膜的结构和发光特性.X射线衍射(XRD)谱表明,六角晶体结构的ZnO∶Er薄膜具有强的择优c轴取向(002).在室温下,用阴极射线激发样品,观测到强的蓝光(455nm)发射.本文认为,蓝光发射是ZnO∶Er薄膜中铒离子(Er3+)的激发态4F5/2到基态4I15/2的辐射跃迁.研究薄膜的阴极射线发光强度与电子束流的关系时发现,蓝光发射强度强烈地依赖于电子束流的大小.此外,超过阈值电子束流0.6μA,蓝光发射强度首先迅速增加,然后缓慢地增加,趋于饱和,根据瓶颈效应和稀土发光理论很好地解释了这一实验结果.     

热处理对Ni0.7Zn0.3O薄膜结构及缺陷荧光特性的影响

采用脉冲激光沉积法在Si(100)衬底上制备了Ni0.7Zn0.3O薄膜,通过热处理改变薄膜的缺陷状态,并利用X射线衍射仪、扫描电子显微镜和荧光光谱仪表征薄膜的晶体结构、表面形貌和缺陷发光特性.结果表明:沉积态薄膜为立方结构的Ni0.7Zn0.3O单相,且沿着(200)面高度取向生长.经过热处理后,薄膜形成ZnO和Ni0.7Zn0.3O两相共存的镶嵌结构.样品具有非常丰富的室温荧光光谱,其发光峰主要来自Ni0.7Zn0.3O的缺陷能级跃迁,多缺陷能级导致了多发光峰的荧光光谱.热处理引起薄膜中缺陷的种类和浓度发生变化,严重影响其发光特性.     

超声喷雾热解法制备不同掺杂浓度ZnO∶Eu薄膜

以醋酸锌,氯化铕的混合水溶液为前驱体,采用超声喷雾热解法在ITO导电玻璃衬底上制备了掺杂不同Eu浓度的ZnO∶Eu薄膜。通过扫描电镜(SEM),X射线衍射(XRD)和光致发光(PL)谱对ZnO∶Eu薄膜的形貌,结构和光学性质进行了研究。通过对比掺杂不同Eu浓度的ZnO∶Eu薄膜的结构和光学性能,可知在掺杂浓度为6mol%时薄膜的性能最好。SEM照片表明制备的ZnO∶Eu薄膜为致密的纳米颗粒薄膜,ZnO∶Eu晶粒尺寸大约在200～250 nm。XRD图谱表明当掺杂浓度为6mol%时,ZnO∶Eu薄膜具有很好的六角纤锌矿结构,且在2θ=50.47°处出现Eu2O3的衍射峰。激发光谱测试表明ZnO∶Eu薄膜在280 nm,373 nm,393 nm处有较强的紫外吸收。当用280 nm激发光激发时ZnO∶Eu薄膜在613 nm处具有较强的红光发射。     

MOCVD法在(220)CaF2衬底上生长ZnO薄膜及其性能研究

采用金属有机化学汽相沉积(MOCVD)法在(220)CaF2衬底上外延生长ZnO薄膜.利用X射线衍射(XRD)、紫外-可见光谱和光致发光谱(PL)对ZnO薄膜的结构和光学性能进行了分析.XRD结果表明,所制备的ZnO薄膜结晶性能良好,具有高度的(002)的择优取向,002衍射峰的半高宽(FMHM)为0.115°.所制备的ZnO薄膜透明,透过率超过85;.在常温的(He-Cd激光器)PL谱中,只有378.5 nm的带边发射.用同步辐射光源测试的真空紫外光谱中,在低温20K时,出现218 nm、368 nm、418 nm、554 nm发光峰,其中368 nm峰强度随着温度的升高强度逐渐下降,到常温时几乎消失.     

O2/(O2+Ar)流量比对ZnO-0.25mol; V2O5薄膜缺陷类型的影响

利用射频磁控溅射技术在玻璃衬底上沉积ZnO-0.25mol; V2O5(ZnO∶V)薄膜,研究了O2/(O2+Ar)流量比(0;~87.5;)对ZnO∶V薄膜中缺陷的影响.研究结果表明:沉积的ZnO∶V薄膜为具有c轴取向的纤锌矿结构,V以五价和四价形式共存其中.ZnO∶V薄膜中的缺陷态为氧空位(VO)和间隙锌(Zni)杂化形成的复合体,两者比例随O2/(O2+Ar)流量比而变化.     

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。