两种新的SiC高层多型体——417R和453R

本文根据倒易点阵原理,详细分析了碳化硅劳埃照相中各种SiC三方多型体斑点和SiC基本类型6H斑点间的相互配置关系。这种关系共总结出不外乎十二种,本文提出利用这种关系,以及两6H类型斑点(hOl)间未知三方多型体的斑点数目,来计算未知多型体类型层数的方法。利用这一方法,对在实验室条件下以升华法制备的若干碳化硅单晶体进行了分析,发现了两种同时与6H类型连生的新的碳化硅高层多型体417R和453R,其空间群为R3m(C_3v⁵),点阵参数以六方晶胞表示时为 417R:α_H=3.0806?,c=1050.7?,z=417; 453R:α_H=3.0806?,c=1141.4?,z=453。以三方晶胞描述时则为 417R:α_R=350.4?,α=30.4′,z=139; 453R:α_R=380.6?,α=27.8′,z=151。     

胺三乙酸银晶体和分子结构的测定

(CH₂COOH)₂NCH₂COOAg属于单斜晶系,单位晶胞中包含有四个分子,晶胞周期为α=7.61₁?,b=4.98₄?,c=23.25?,β=104°52′。空间羣为P2₁/c(C_2h⁵)。用柏特森及电子密度函数方法获得了原子坐标。键长C—C=1.51?,N—C=1.48?,C—O=1.28?及Ag—O=2.23—2.73?。指出了在分子之间具有较强的氢键O…O=2.54?。     

含铋层状结构铁电体PbBi4Ti4O15和SrBi4Ti4O15的X射线衍射数据的测定

用衍射仪和Guinier聚焦相机收集了含秘层状结构铁电体PbBi₄Ti₄O₁₅SrBi₄Ti₄O₁₅的X射线粉末衍射图谱(Cu K_a),给出了d值大1.13?的88和76条衍射线的衍射数据和指标。它们都属正交晶系,空间群Bb2₁m(C_2v¹²),点阵常数和X射线理论密度为PbBi₄Ti₄O₁₅α=5.431?,b=5.459?,c=41.36?; z=4;D_x=7.986g/cm³.SrBi₄Ti₄O₁₅:α=5.428?,b=5.438?,c=40.94?;Z=4;D_x=7.447g/cm³.     

FeGa3的晶体结构

本文用X射线粉末法测定了FeGa₃的晶体结构,FeGa₃属四方晶系。在20℃的点阵常数是:a=6.2628?,c=6.5559?。每晶胞包含四个化合式量。空间羣为D_4h¹⁴——P4₂/mnm。Fe原子占据在4(f)等效位置上,Ga原子占据在4(c)及8(j)等效位置上;参数为:x_f=0.343,x_j=0.157,z_j=0.264。从结构看来,这是金属互化物的一种新类型。     

BeO的高压能量色散X射线衍射研究

在北京同步辐射高压站进行了BeO高压原位能量色散X射线衍射实验. 在从常压下加压至42GPa的过程中,BeO保持常压的六方纤锌矿结构(Wurtzite),没有发生相变,晶胞体积随着压力增加单调减小.用Murnaghan方程拟合出BeO在0.6—42.0GPa范围内的P-V状态方程,得到体弹模量K₀=276GPa.     

V2Ga5的晶体结构

本文利用单晶与粉末衍射方法测定了V₂Ga₅的晶体结构。V₂Ga₅属四方晶系,其单相区约为VGa₂—V₂Ga₅。在18℃的点阵常数是a=8.9540?,c=2.6892?,每个晶胞含有二个化合式量,空间羣为D_4h⁵—P4/mbm。V原子与Ga原子分别占据在4(h)与8(i),2(d)的等效位置上。参数为:x相似文献   

Mn3Ga的晶体结构

本文用X射线粉末法,测定了Mn₃Ga的晶体结构。Mn₃Ga属六角晶系。26.8at.%Ga的合金在20℃的点阵常数是:a=5.4065?,c=4.3537?,c/a=0.8053。空间群为D_6h⁴-P6₃/mmc。每个单胞含两个化合式量,其中6个Mn原子占据6(h)的位置,原子参数x_h=0.837,2个Ga原子占据2(c)的位置。这是一个畸变型的DO₁₉有序密堆积超结构。Mn-Ga采内相当于这个结构的均匀范围并不包括理想成分在内,而偏移在富Ga的一边。     

iC多型体X射线定量分析的Rietveld方法

鉴于SIC多型体的主要衍射线完全重叠，用常规X射线粉末衍射方法确定SiC陶瓷材料中多型体含量的分布是非常困难的．提出以X射线粉末衍射全谱拟合的Rietveld方法进行SiC多型体定量分析，阐述了原理及方法．对含3C，4H，6H和15R4种多型体衍射数据的定量分析结果表明：Rietveld方法可对SiC材料中常见多型体的定量分析给出准确的结果．还给出了各自的标准偏差，并估计了该方法对各多型体能给出精确结果的最低含量     

Tb3+掺杂硅酸盐玻璃发光性能的浓度依赖关系

 利用高温熔融法制备了不同浓度的Tb³⁺掺杂硅酸盐玻璃,并分别测量了紫外和X射线激发时的发射光谱。光谱结果表明,不同浓度Tb³⁺掺杂硅酸盐玻璃在紫外和X射线激发时发光行为具有相似的浓度依赖关系：低浓度Tb₄O₇掺杂时主要以蓝光(5D₃→⁷FJ)发射为主,而高浓度掺杂时以绿光(⁵D₄→⁷FJ)发射为主。Tb³⁺发光强度与掺杂浓度的关系分析表明,⁵D₃的浓度猝灭是电偶极-电偶极相互作用引起的, 而⁵D₄的浓度猝灭是交换相互作用引起的。     

用云母弯晶谱仪探测Z箍缩等离子体X射线光谱

 为了研究Z箍缩等离子体辐射的X射线光谱,研制了可用于“阳”加速器上探测宽频谱范围的X射线椭圆弯曲晶体谱仪。该谱仪晶体分析器采用云母材料,椭圆焦距为1 350 mm,离心率为0.948 5,覆盖布拉格范围为30°~60°,可探测X射线波长范围为0.10~1.73 nm(0.86~1.00 nm除外),用X射线胶片接收光谱信号。探测实验在中国工程物理研究院“阳”加速器上进行,实验结果表明:谱仪获取了氩的类氢共振线L_ya及其伴线、类氦共振线(1s2p¹P₁-1s2¹S₀)w线及磁四级M₂2跃迁(1s2p³P₂-1s²¹S₀)x线、互组合跃迁(1s2p³P₁-1s²¹S­₀)y线、禁戒谱线(1s2p³S₁-1s²¹S₀)z线和K­_-a线,谱线分辨率达到564。实验证明弯晶谱仪适合于Z箍缩等离子体X射线光谱学诊断。     

Synthesis of α -SiC nanocrystals by carbothermal reduction of spherical nanoparticles of amorphous silicon dioxide

The method for carbothermal reduction of spherical particles of amorphous silicon dioxide is developed, and hexagonal α-SiC polytype nanocrystals are synthesized. The prepared samples are characterized by X-ray diffraction, Raman spectroscopy, photoluminescence spectroscopy, and electron microscopy. The silicon carbide nanocrystals prepared have sizes in the range 5–50 nm depending on the diameter of initial silicon dioxide particles. A detailed analysis of the positions of the lines in the Raman spectra, their broadening, and shift makes it possible to reliably establish that the samples under investigation predominantly contain the 6H and 4H silicon carbide polytypes and insignificant amounts of the 2H and 3C phases. The 15R and 21R polytypes in the samples are absent. It is noted that the samples are characterized by a substantial size effect: the luminescence intensity of small silicon carbide nanocrystals is more than three times higher than that of large SiC nanocrystals.     

研究SiC多种多型体连生方式的X射线方法

本文提出了一种研究碳化硅多种类型连生的晶体中连生次序的实验方法。用超声波研磨法将极硬的薄片状碳化硅单晶逐层磨薄并逐次摄取双套劳埃照片。对劳埃法得出的SiC多型类型数据的分析可以确定各种连生多型体的次序和比例。用一晶体的实验结果对Mitchell的碳化硅多型性机理作了讨论。     

碳化硅多型体连生现象的X射线研究

本工作用劳埃法对分布于三十二炉的四百多个碳化硅单晶进行了类型分布、连生规律和结构完整性等的分析。大量的观察表明,碳化硅片状晶体中的共轴平行连生是一种普遍的现象,二种以上类型的连生占晶体总数的三分之二。文中列出了各种连生类型的统计。系统地报导了SiC晶体连生状况的X射线法实验结果。对各炉晶体所作的类型分布的分析表明,不同的制备条件下影响较大的是颜色和结构完整度。类型分布的规律性并不明显,邻近的晶体类型可以完全相异。用实验数据分析了类型、颜色和蚀坑间的关系。对碳化硅多型体产生的机理作了讨论。     

碳化硅的多型性

本文利用鉴定碳化硅多型体的“点间关系法”分析了一千一百多个碳化硅单晶体的劳埃照片。发现了61种碳化硅新多型体,其中六方晶胞c轴点阵常数最大的多型体1041R的点阵常数达2622.8?。至此碳化硅多型体的数目达110种,其中六方多型体30种,三方多型体80种。利用实验资料对现有的三种碳化硅多型体形成机理作了讨论,即1.螺型位错理论;2.生长环境因素理论和3.热力学理论。     

属特殊结构系列的若干碳化硅多型体的晶体结构

碳化硅(SiC)是典型的层状结构化合物。到目前为止,已发现了150种以上的多型体。作者曾发展了一种特殊的劳厄法可有效地鉴定碳化硅多型体。这种方法,我们发现了85种碳化硅新多型体。为了测定其中一些多型体的结构,拍摄了回摆和魏森堡照相作结构分析,但没有成功。因为这些照相中只有一些基本类型6H,15R和8H的衍射斑点而没有高层多型体的斑点,这是由于新多型体在晶体中含量很少且这些薄晶体多型体处于基本类型6H,8H,15R中间的缘故。本文提出了一种测定碳化硅多型体晶体结构的劳厄法。提出了计算劳厄斑点衍射强度的方法。对结构系列[(33)_m32]₃,[(33)_m34]₃,[(22)_m23]₃和[(44)_m43]₃多型体的结构因子F_hkl的计算方法作了简化。利用这种方法对9种碳化硅新多型体的晶体结构作了测定,其结构用z字形堆垛(Жданов符号)表示时为231R:[(33)₁₂32]₃,249R:[(33)₁₃32]₃,321R:[(33)₁₇32]₃, 339R:[(33)₁₈32]₃,237R:[(33)₁₂34]₃,417R:[(33)₂₂34]₃, 453R:[(33)₂₄34]₃,93R:[(44)₃43]₃,261R:[(44)₁₀43]₃。 关键词：     

Luminescence spectra of hexagonal forms of silicon carbide in mosaic films grown by solid-state epitaxy

The luminescence spectra of silicon carbide films grown on silicon by solid-state epitaxy have been studied. It has been shown that, depending on the growth conditions, one can obtain films of different SiC polytypes, including the cubic and hexagonal ones. In many cases, the films thus grown display a mixture of various polytypes, but it is possible to prepare films of predominantly hexagonal symmetry (the coexistence of the 4H and 2H hexagonal phases, which are close in properties, is also possible). It thus has been demonstrated that the silicon carbide films grown on silicon by solid-state epitaxy are promising for application as damping layers in fabrication of wide-band-gap hexagonal semiconductors on silicon substrates.     

Asymmetric split-vacancy defects in SiC polytypes: a combined theoretical and electron spin resonance study

Transition metal defects were studied in different polytypes of silicon carbide (SiC) by ab initio supercell calculations. We found asymmetric split-vacancy (ASV) complexes for these defects that preferentially form at only one site in hexagonal polytypes, and they may not be detectable at all in cubic polytype. Electron spin resonance study demonstrates the existence of ASV complex in niobium doped 4H polytype of SiC.     

Structural and electronic properties of 9R diamond polytype

The electronic and structural properties of 9R diamond are studied by performing density functional (DFT) calculations, and compared with those of four other known polytypes (2H, 3C, 4H, and 6H). The calculated lattice constants, the unit cell energy, and the relative stability of these polytypes all agree well with the experimental sequence of diamond polytypes. It is found that the band gap of the cubic structure is considerably smaller than that of other polytypes. The trend of band gap increasing with the increase of hexagonality that has been found by others with other polytypes is not applicable to 9R polytype.     

SiC polytypes process affected by Ge predeposition on Si(111) substrates

Structural and optical measurements were performed on silicon carbide (SiC) samples containing several polytypes. The SiC samples investigated were grown on (111) Si substrates by solid source molecular beam epitaxy (SSMBE). Several quantities of Ge were predeposited before the growth procedure. The influence of Ge on the SiC polytypes formation was studied by X-Ray, FTIR and μ-Raman characterizations methods. The spectra of the samples with less than one Ge monolayer exhibit a mixture of 2H, 15R and 3C–SiC polytypes. This mixture is due to the mismatch between the heterostructure layers. We propose that the Ge predeposition in the heterostructure can be used to stabilize and unify the polytypes formation.