PbBi2Nb2O9的晶体结构

PbBi₂Nb₂O₉晶体属正交晶系,空间群为D_2h²³-Fmmm。晶胞参数为a=5.4806(7)?,b=5.4791(7)?,c=25.416(3)?,α=β=γ=90.0(0)°,V=763.2(2)?³。单位晶胞内化学式数z=4,D_obs=7.91g/cm³,D_x=8.26g/cm³ 关键词：     

基于确定偶极子取向的Co2+:MgAl2O4吸收截面的测量

确定具有各向异性、非线性吸收特性的调Q晶体内电偶极子的取向,是测量其吸收截面的重要条件。通过对Co²⁺:MgAl₂O₄晶体所属的空间群以及掺杂Co²⁺在晶胞结构中的位置对称性的分析,确定了晶体内电偶极子的跃迁方向主要是沿晶胞的4个体对角线方向分布的,建立了偏振入射光在Co²⁺:MgAl₂O₄晶体内传输的理论模型。实验测量了沿[100]方向切割的Co²⁺:MgAl₂O₄晶体在偏振入射光沿晶胞面对角线方向时的非线性透过率曲线,利用建立的模型对实验结果进行拟合,得到Co²⁺:MgAl₂O₄晶体在1.5μm波段的基态吸收截面和激发态吸收截面分别为(3.6±0.3)×10^-19 cm²和(4.5±0.4)×10^-20 cm²。     

利用Townsend放电测定N2(A3∑u+)亚稳态分子的扩散系数和猝灭速率常数

在纯N₂气体中,利用Townsend放电方法,对N₂(A³∑_u⁺)亚稳态分子的扩散系数D_m和猝灭速率常数K_q的测定进行了研究。分别得到:D_m=128cm²/s,K_q=8.1×10^-19cm³/s。 关键词：     

新化合物——Sr2CaMoO6的相变与晶体结构

本文用差热分析、X射线物相分析及点阵常数的精确测定等方法研究了新化合物Sr₂CaMoO₆的相变,证明该化合物在(767±5)℃存在一级位移型相变。低温相α-Sr₂CaMoO。属正交晶系,空间群为Pmm2,室温时点阵常数为:α=8.1933?,b=5.7611?,c=5.8410?。测量密度D_m=4.97g/cm³,单位晶胞内具有2个化学式量。高温相β-Sr₂CaMoO_关键词：     

高压下面心立方CeH9和CeH10动力学性质的第一性原理研究

高压下的稀土金属超氢化物因具有高温超导电性而受到广泛关注。由于实验只能部分地确定超氢化物中稀土金属原子的晶格结构,因此,第一性原理计算成为全面理解其结构与物性的重要方法。基于第一性原理计算,对氢含量不同但Ce晶格结构相同的面心立方CeH₉和CeH₁₀的弹性、晶格动力学、质子动力学性质进行了对比研究,发现低氢含量有利于面心立方超氢化铈的弹性和声子稳定向低压拓展。在100～140 GPa压强区间,室温下CeH₉和CeH₁₀不具有显著的质子扩散,但1 500 K时全面转变为超离子态,扩散系数分别为1.6×10^-4～1.2×10^-4 cm²/s和1.9×10^-4～1.5×10^-4 cm²/s;扩散系数与温度、氢含量正相关,但与压强负相关。所获得的压强、温度及氢含量对超氢化铈结构与动力学性质的影响规律可为其他超氢化物研究提供参考。     

硅中三空位V3-的超精细相互作用的理论计算

利用Koster-Slater的格林函数方法,计算了硅中三空位V₃^-的电子态能级和波函数.结果表明,V₃^-在禁带中有五条能级:E_(A2)=0.417eV,E_(B1)=0.492eV,E_(B2¹)=0.512ev, E_(A1)=0.532eV,E_(B2²)=0.608eV.根据算得的超精细相互作用常数同实验值的比较,定出V₃^-处于B₁态.V₃^-的B₁态点据第1壳层的几率为60.2％,但主要集中在三空位所确定的平面内的二个原子上. 关键词：     

Nd3+螯合物的含氢有机溶液光谱性能研究

研究了Nd(TTA)₃螯合物溶于二甲基甲酰胺溶剂的光谱性质，溶液中所有氢未置换为氘.测量了这种溶液体系的吸收谱、荧光谱和荧光寿命.在898和1058 nm波长处观察到明显的Nd³⁺荧光特征峰.用Judd-Ofelt理论对吸收谱进行分析计算，得到了三个强度参数Ω_t(t=2,4,6)分别为Ω₂=4.9×10^-20 cm², Ω₄=5.1×10^-20 cm²和Ω₆=2.5×10^-20 cm².利用强度参数计算了⁴F_3/2能级与⁴I_9/2和⁴I_11/2之间的跃迁强度S_ed、自发辐射系数A_ed以及荧光分支比β等，估算了⁴F_3/2能级的辐射跃迁寿命τ_r＝682 μs.实测1058和898 nm波长处荧光寿命τ大约为460和505 μs，因此荧光量子效率分别高达0.67和0.74.荧光量子效率高表明Nd³⁺在这种溶液中无辐射跃迁比较弱；强度参数Ω₂比较大，表明Nd³⁺在溶液中具有不对称配位场环境，不对称的配位场环境可大大促进Nd³⁺吸收激发能量.光谱质量因子Ω₄/Ω₆>1，使得898 nm的辐射强于1058 nm的辐射. 关键词： Nd 有机溶液 光谱性能 Judd-Ofelt理论     

一种新型掺铒碲酸盐玻璃的光谱性质研究

研究了一种新型掺Er³⁺碲酸盐玻璃的光谱性质；应用Judd-Ofelt理论计算了碲 酸盐玻璃中Er³⁺离子的强度参数Ω(Ω₂=479×10^-20 cm²,Ω₄= 152×10^-20cm²,Ω₆=066×10^-20cm2)，计算了离子的自发跃迁概 率，荧光分支比；应用McCumber理论计算了Er³⁺的受激发射截面(σ_{e=1040×1 0^-21cm²)，Er³⁺离子⁴I13/ 2→⁴I15/2发射谱的 荧光半高宽(FWHM=655nm)及各能级的荧光寿命(⁴I13/2 能级为τrad =399ms)；比较了不同基质玻璃以及不同类型碲酸盐玻璃中Er³⁺离子的光谱 特性， 结果表明该掺铒碲酸盐玻璃具有更好的光谱性能，更适合于掺Er³⁺光纤放大 器实现宽带和高增益放大. 关键词： 碲酸盐玻璃 光谱性质 Judd-Ofelt理论}     

中性硅3s23P2 3P2,1D2→3s3p3 3D3o跃迁能量,超精细结构常数与同位素移动的MCDHF计算

本文使用多组态Dirac-Hartree-Fock方法计算了²⁹Si的3s²3p^{2 3}P₂,¹D₂→3s3p³D₃⁰跃迁能量和³P₂,³D₃⁰超精细结构A常数以及Si同位素²⁹Si,³⁰Si和³¹Si相对于²⁸Si在3s²3p^{2 3}P₂→3s3p^{3 3}D₃⁰跃迁的同位素移动.通过尝试双电子激发（SD）和三电子激发（SDT）,分别考虑VV相关,CV相关和CC相关产生各种不同的扩展组态波函数得到的计算结果和实验值的比较,推测了对于中性硅原子这两个组态,内壳层2p2s,1s电子活动到外壳层的概率较小,而3s3p壳层中的电子都比较活跃,但主要是在n=3,4的壳层内活动,活动到更高n壳层的概率则比较小.     

新型Sr（NO3）2的水热合成及其晶体结构

本文以Sr（NO₃）₂和水为原料,采用水热法合成了一种新型的Sr（NO₃）₂结构。利用X-射线单晶衍射对其结构进行了测定,结果表明:该晶体属于立方晶系,Pa-3空间群,α=b=c=0.77402（7）nm,α=β=γ=90.00°,V=0.46372（7）nm³,Z=4,Dc=3.031g/cm³,F（000）=400,R_gt（F）=0.0287,wR_ref（F²）=0.0888。     

Indirect measurements of the Jahn-Teller quenched spin-orbit splitting in the 5T2g-state of KMgF3:Fe2+

The energy separation of the first excited spin-orbit States Γ_3g, Γ_4g from the Γ_5g ground state, in the orbital ⁵T_2g triplet state of Fe²⁺ in KMgF₃, has been estimated from temperature dependence measurements on the 7860 cm^-1 zero-phonon-line (ZPL) transition from Γ_5g to the orbital ⁵E_g doublet state. Using a simplified crystal field energy level model, we find the Γ_5g Γ_3g, Γ_4g separation to be ～30 cm^-1, indicating that the vibronic Jahn-Teller coupling is considerably stronger in KMgF₃:Fe²⁺ than in MgO:Fe²⁺. Far infrared absorption data on KMgF₃:Fe²⁺ in magnetic fields up to 6T, are found to be consistent with this interpretation.     

The structure of crystallographic damage in GaN formed during rare earth ion implantation with and without an ultrathin AlN capping layer

The crystallographic nature of the damage created in GaN implanted by rare earth ions at 300 keV and room temperature has been investigated by transmission electron microscopy versus the fluence, from 7×10¹³ to 2×10¹⁶ at/cm², using Er, Eu or Tm ions. The density of point defect clusters was seen to increase with the fluence. From about 3×10¹⁵ at/cm², a highly disordered ‘nanocrystalline layer’ (NL) appears on the GaN surface. Its structure exhibits a mixture of voids and misoriented nanocrystallites. Basal stacking faults (BSFs) of I₁, E and I₂ types have been noticed from the lowest fluence, they are I₁ in the majority. Their density increases and saturates when the NL is observed. Many prismatic stacking faults (PSFs) with Drum atomic configuration have been identified. The I₁ BSFs are shown to propagate easily through GaN by folding from basal to prismatic planes thanks to the PSFs.When implanting through a 10 nm AlN cap, the NL threshold goes up to about 3×10¹⁶ at/cm². The AlN cap plays a protective role against the dissociation of the GaN up to the highest fluences. The flat surface after implantation and the absence of SFs in the AlN cap indicate its high resistance to the damage formation.     

Electronic Raman spectra of iron doped MgO

The nearby excited states of Fe²⁺ in MgO are investigated by Raman spectroscopy. We observed an A_1g impurity mode (185 cm^?1) and an electronic transition at 110.5 ± 0.8 cm^?1 which we associate with the first excited states of the ferrous ion, Γ₃ and Γ₄, previously observed by far infrared optical absorption.     

Magnetization,AC susceptibility and microwave absorption in Tb and Gd70Tb30

Measurements of magnetization, ac susceptibility and microwave absorption at 9.5 and 35 GHz, have been carried out with single crystals of Tb and Gd₇₀Tb₃₀. The critical temperatures for Tb were in agreement with previous published results. The Curie Temperature for Gd₇₀Tb₃₀ was measured to be (275 ± 2) K. Anisotropy constants have been derived from the microwave measurements. The value of K₂ at 0 K is estimated to 8.8 × 10⁸ erg cm^-3 (Tb) and 1.3 × 10⁸ erg cm^-3 (Gd₇₀Tb₃₀). At 77 K, the value of K₆ is estimated to be 6 × 10⁴ erg cm^-3 (Gd₇₀Tb₃₀.     

FMR study of the anisotropic properties of an epitaxial Fe<Subscript>3</Subscript>Si film on a Si(111) vicinal surface

The anisotropic characteristics of an iron silicide (Fe₃Si) epitaxial thin magnetic film grown on a Si(111) silicon vicinal surface with a misorientation angle of 0.14° have been measured by the ferromagnetic resonance method. It has been shown that the polar and azimuth misorientation angles of the crystallographic plane of the substrate can be determined simultaneously from the angular dependences of the ferromagnetic resonance field of the epitaxial film. The effective saturation magnetization of the film M _eff = 1105 G and the constant of the cubic magnetocrystalline anisotropy K ₄ = 1.15 × 10⁵ erg/cm³ have been determined. The misorientation of the substrate plane leads to the formation of steps on the film surface and, as a result, to the appearance of uniaxial magnetic anisotropy of the magnetic dipole nature with the constant K ₂ = 796 erg/cm³. Small unidirectional magnetic anisotropy (K ₁ = 163 erg/cm³), which may be associated with symmetry breaking on the steps of the film and is due to the Dzyaloshinskii–Moriya interaction, has been detected.     

In-plane magnetic surface anisotropies in Fe(110)

In-plane magnetic surface anisotropies have been detected for Fe(110) on W(110) using in situ Conversion Electron Mössbauer Spectroscopy (CEMS). The phenomenon used for the determination of this anisotropy was a switching of the spontaneous magnetizationJ _s from [001] to [1¯10] with decreasing thickness. Analysis of the data is performed using a homogeneous magnetization approximation for competing surface and bulk anisotropies, which is justified by a micromagnetic analysis and established experimentally by CEMS. In-plane surface anisotropy constants for the clean Fe(110) surface, the Fe metal-interface and the FeGaAs interface are determined toK _s,p ^FeUHV =0.065 erg·cm^–2,K _s,p ^FeMetal =0.040 erg ·cm^–2, andK _s,p ^FeGaAs =0.047 erg ·cm^–2, all with an estimated accuracy of the order of 10%.     

Stacking fault energy of cryogenic austenitic steels

Stacking fault energy and stacking fault nucleation energy are defined in terms of the physical nature of stacking faults and stacking fault energy, and the measuring basis for stacking fault energy. Large quantities of experimental results are processed with the aid of a computer and an expression for calculating stacking fault energy has been obtained as γ³⁰⁰_SF(mJ·m^-2)=γ⁰_SF+1.59Ni-1.34Mn+0.06Mn²-1.75Cr+0.01Cr²+15.21Mo-5.59Si-60.69(C+1.2N)^1/2 + 26.27(C+1.2N)(Cr+Mn+Mo)^1/2+0.61[Ni·(Cr+Mn)]^1/2.     

Fabrication of high Ge content SiGe-on-insulator with low dislocation density by modified Ge condensation

A SiGe-on-insulator (SGOI) structure with high Ge content and low density of dislocations is fabricated by a modified Ge condensation technique. The formation and elimination of stacking faults during condensation process are analyzed by transmission electron microscopy. A Si_0.19Ge_0.81OI substrate is fabricated utilizing two steps of oxidation and intermittent annealing. The time of oxidation or annealing at 900 °C is essential for the elimination of stacking faults in high Ge content SGOI substrate. The surface morphology of SGOI is investigated by atomic force microscopy and the defect density is evaluated from wet etching method. After the final condensation, the surface root-mean-square roughness (rms) of SiGe layer is kept below 1 nm and the threading defect density is controlled around 10⁴ cm⁻². The smooth surface and integrated lattice structure of SiGe layer indicate that the SGOI is suitable for heteroepitaxial growth of strained Ge, GaAs and III-V compounds.     

Far infrared absorption of Fe2+ in KMgF3

Far infrared absorption in cubic KMgF₃ doped with Fe²⁺ is reported . A line is observed at 87cm^?1, which is assigned to the (Γ_5g → Γ_3g, Γ_4g) transition in the Fe²⁺. The reduction in the spin-orbit coupling from the free ion value has been predicted by Ham, Schwarz and O'Brien.     

Estimation of the homogeneity range of MoS2

The sulphur pressure as a function of composition and temperature has been investigated in MoS₂ with both large and small concentrations of stacking faults. This was done by stepwise annealing with H₂ and analyzing the gas phase. The composition variability seems to be affected only by the concentration of stacking faults. There is no evidence for a homogeneity range of MoS₂ which is free from stacking faults, i.e. this homogeneity range is smaller than 8 × 10^-5 moles S per mole of MoS₂ at temperatures between 1173 and 1373 K. Values of the S₂ pressure in equilibrium with a mixture of Mo₂S₃ and MoS₂ agree with the phase diagram proposed in the literature.