Electric Fields Gradients at 111In Sites in CdIn2O4 Spinel

The perturbed angular correlation (PAC) technique was applied to study the electric field gradients at ¹¹¹In sites in CdIn₂O₄. The measurements were carried out at temperatures in the range 150–1073 K. The aims of the study were both to characterize the quadrupole interactions of the tracers and to determine the distribution of indium ions among the available sites in the spinel structure. Room temperature measurements corresponding to samples cooled at different rates are also reported. ^aAlso at Comisión de Investigasiones Científicas de la Provincia de Buenos Aires, Argentina.     

不同尺寸锐钛矿结构TiO2纳米晶的高压相变研究

本文利用溶胶-凝胶法合成出5.6 nm、8.6 nm和19.4 nm三种尺寸的锐钛矿结构TiO2纳米晶, 并利用金刚石对顶砧压机结合Raman光谱技术研究了尺寸效应对其在23 GPa高压下结构相变的影响。结果发现, 对于5.6 nm和8.6 nm的样品, 加压到23.2 GPa和22.5 GPa的压力时没有发生结构相变, 而是转变为无定型结构, 卸除压力后, 依然保持为无定型; 而19.4 nm的样品在约11.3 GPa时逐渐转变为单斜斜锆石结构, 在卸压后转变为α-PbO2结构。相对于块材, 尺寸越小, 相变压力越大。基于吉布斯自由能理论, 尺寸减小引起的表面能增大被认为是相变压力变大的主要原因。     

La2NiO4+δ体系相分离现象的低频内耗研究

La2NiO4+δ体系额外氧δ=0.071，0.110，0.135，0.140样品中存在着 一个间隙氧弛豫运动引起的低频内耗峰，其内耗峰峰位置随额外氧的增多向高温移动.而额外氧处于其间位 置δ=0.087样品中则出现了两个弛豫型内耗峰，分析认为它们源于体系相分离后形成的不同一维有序结构中间隙氧的跳跃. 此外，额外氧δ=0.038样品中也观察到两个弛豫型内耗峰，其中低温峰性质与上相同，而高温内耗峰则可能对应于体系相分离后形成的低温四方相中氧原子的跳跃弛豫. 关键词： La2NiO4 内耗 相分离     

铁的冲击相变机制的分子动力学研究

 用分子动力学方法模拟计算了在冲击波加载条件下,单晶铁中的结构相变（由体心立方结构α相到六角密排结构ε相）,相互作用势采用铁的嵌入式原子势（EAM）,单晶铁样品的尺寸为28.7 nm×22.9 nm×22.9 nm,总原子数为1.28×10⁶个。通过推动一个运动活塞对静止靶的作用来产生冲击压缩,加载方向沿单晶铁的[100]晶向。通过对原子位置的追踪,揭示了铁的冲击相变机制,计算结果表明相变机制包括两步：首先是在{011}面上的原子受到沿〈100〉晶向的压缩,使{011}面转化成正六角形密排面;然后是在{011}面上原子沿〈0-11〉晶向的滑移,完成由bcc结构到hcp结构的相变。同时发现滑移面只出现在与冲击波加载方向平行的(011)和(0-11)面上。     

高能球磨条件下TiO2相变的实验研究

 采用高能球磨法处理二氧化钛（TiO₂）与双氰胺粉末混合物,对不同球磨时间和球磨转速条件下TiO₂的相变进行了研究。利用X射线衍射仪对回收产物的相组成进行表征。结果表明,在700 r/min的高速球磨条件下,TiO₂发生了由锐钛矿相向金红石相和Srilankite高压相的转变,随着球磨时间的增加,Srilankite高压相和金红石相的含量逐步增加并逐渐趋于平衡;进一步提高球磨转速至1 000 r/min,锐钛矿相向Srilankite高压相的转变占主导,更易于形成Srilankite高压相,Srilankite高压相的质量分数可增加至47.8%。     

Investigation of Hyperfine Interactions in GdNiIn Compound

Perturbed gamma–gamma angular correlation technique was used to measure the hyperfine interactions in the compound GdNiIn using the ¹¹¹InCd → and ¹⁴⁰La¹⁴⁰Ce probe nuclei at the In and Gd sites, respectively. A unique quadrupole frequency with asymmetry parameter η = 0.78 was observed for ¹¹¹Cd probe at In sites for the measurements above Curie temperature. Below T _C , the spectra for ¹¹¹Cd show combined magnetic dipole and electric quadrupole interaction. Below 85 K, a unique magnetic interaction is observed at ¹⁴⁰Ce. A linear relationship between the saturated magnetic hyperfine field and the magnetic transition temperature was observed for both probes, indicating that the main contribution to the mhf comes from the conduction electron polarization.     

γ-Al_2O_3高温相变的激光Raman光谱研究

通过不同波长的Raman激发光对γ-Al2O3的高温相变过程进行了研究。发现用632.8 nm激发光测得的位于1175、1241cm-1和1370、1400cm-1,对应于514.5 nm激发光时位于4808、4875cm-1和5003、5033cm-1的谱峰均是Al2O3中杂质的荧光光谱。较低波数的二个谱峰与θ-Al2O3有关,而较高波数的二个谱峰与α-Al2O3有关。随着焙烧温度升高,从800℃开始γ-Al2O3逐渐向θ-Al2O3和α-Al2O3转变,θ-Al2O3的谱峰强度在1100~1200℃焙烧时最大,当温度继续升高到1250℃全部转变成α-Al2O3,并且Al2O3的相变是从表层开始的。     

Monte Carlo Simulations of PAC-Spectra as a General Approach to Dynamic Interactions

Time Dependent Perturbed Angular Correlations of -rays (PAC) can be used to study hyperfine interactions of a dynamic nature. However, the exact effect of the dynamic interaction on the PAC-spectrum is sometimes difficult to derive analytically. A new approach based on Monte Carlo simulations is therefore suggested, here implemented as a Fortran 90 program for simulating PAC spectra of dynamic electric field gradients of any origin. The program is designed for the most common experimental condition where the intermediate level has spin 5/2, but the approach can equally well be used for other spin states. Codes for 4 different situations have been developed: (1) Rotational diffusion by jumps; used as a test case. (2) Jumps between two states with different electric field gradients, different lifetimes and different orientations of the electric field gradient principal axes. (3) Relaxation of one state to another. (4) Molecules adhering to a surface with random rotational jumps around the axis perpendicular to the surface. To illustrate how this approach can be used to improve data-interpretation, previously published data on ^111mCd-plastocyanin and ¹¹¹Ag-plastocyanin are re-considered. The strength of this novel approach is its simplicity and generality so that other dynamic processes can easily be included by only adding new program units describing the random process behind the dynamics. The program is hereby made publicly available.     

紫外拉曼光谱研究钇掺杂的氧化锆体系表面相变

本文用紫外拉曼 ,近可见拉曼光谱和XRD检测了不同焙烧温度下Y2 O3-ZrO2 的相变过程。紫外拉曼光谱对样品表面相变极其灵敏 ,而近可见拉曼光谱和XRD提供的主要是体相和表面的混合信息。在紫外拉曼谱图中 ,只观察到单斜相的谱峰 ,没有明显的四方晶相的信号 ,这表明样品的表面主要是单斜晶相。然而 ,XRD和近可见拉曼光谱的结果显示Y2 O3-ZrO2 体相是四方晶相。焙烧温度超过 40 0°时 ,紫外拉曼 ,近可见拉曼和XRD晶之间明显不同的结果表明Y2 O3-ZrO2 在表面区四方相很易转变为单斜相 ,体相中的四方相由于钇的添加而稳定存在。根据紫外拉曼和XRD结果 ,当升高温度时 ,在样品的表面形成一单斜相层 ,体相钇稳定的四方相 ,且由于Y2 O3的存在抑制了单斜相进一步向体相发展。     

飞秒激光诱导二氧化钛金红石单晶相变的拉曼光谱研究

利用显微拉曼光谱仪研究了近红外飞秒激光脉冲诱导二氧化钛金红石单晶所引起的相变。实验发现当激光的平均功率为300 mW时,随着辐照时间的增加,金红石相的Eg模式强度增强,而A1g模式强度减弱,由此得出激光诱导晶体产生了色心;辐照时间为10 s时,锐钛矿相出现;并且随着辐照时间的增加,锐钛矿相的拉曼振动模式强度增强,金红石相的减弱。然而当辐照时间确定为1/63 s时,随着激光功率的增加,金红石Eg模式强度与A1g模式强度的比值增加,而没有锐钛矿相出现。     

加压下ZnO结构相变和电子结构的第一性原理计算

基于密度泛函(DFT)理论的第一性原理,计算半导体ZnO纤锌矿结构和岩盐矿结构状态方程及其在高压下的相变,分析加压下体相ZnO的晶格常数、电子态密度和带隙随压力的变化关系,并将计算结果与文献中的理论和实验数据进行比较.验证在计算金属氧化物时,应用局域密度(LDA)近似计算出的相变压力普遍偏高,采用广义梯度(GGA)近似得到的结果与实验符合较好.     

PbWO_4微晶高压结构相变的Raman光谱研究

本文利用溶剂热方法合成出具有锥形结构的四方白钨矿相PbWO4微晶,并结合金刚石对顶砧压机,利用Raman光谱手段研究了其在22GPa压力下的结构变化。结果发现,在大约4.2GPa,发生了向单斜结构PbWO4-Ш相的局部转变。随着压力继续增大至7GPa,又发现了向亚稳单斜结构的褐钇铌矿相的转变。大约13.2GPa后,亚稳相褐钇铌矿结构也转变为更为致密的PbWO4-Ш相。该相变过程为可逆相变,卸压后恢复为白钨矿结构。     

Comparison of XYZ Model Fitting Functions for 111Cd in In3La

The XYZ model describes the interaction between nuclear probes and an electric field gradient that fluctuates among three orthogonal directions. The model presents a means to calculate the perturbation function that represents spectra obtained using perturbed angular correlation spectroscopy. Three analytic approximations of the perturbation function have been developed previously, and they are evaluated in the present paper in the context of Cd jumping among In-lattice sites in In₃La.     

In situ monitoring of the solution‐mediated polymorphic transformation of glycine: characterization of the polymorphs and observation of the transformation rate using Raman spectroscopy and microscopy

The aim of this work was to investigate the mechanism and progression of the solution‐mediated polymorphic transformation and crystallization of glycine. The identification of the α‐ and γ‐forms of glycine crystals was performed using powder X‐ray diffraction (PXRD), Raman microscopy and in situ probe Raman spectroscopy. The influence of the addition of NaCl and of the process parameters such as saturation temperature, seed size and stirring speed on the transformation behavior from the metastable α‐ form to the stable γ‐ form was examined. In situ probe Raman spectroscopy was used to monitor the solid‐phase properties—polymorphic composition. Fourier transform infrared spectroscopy (FTIR) with a ZnSe window was used to track the liquid‐phase concentration at different times. Besides, the polymorphic transformation of glycine in the solvent was also examined in situ using a microscope with a heating/cooling stage. The integration of the different offline and in situ analytical measurement techniques greatly assisted in accurately and quantitatively perceiving the fundamental phenomena that govern the transformation process. Copyright © 2008 John Wiley & Sons, Ltd.     

La2 NiO4+δ体系相分离现象的低频内耗研究

La2 NiO4 δ体系额外氧δ =0 .0 71,0 .110 ,0 .135 ,0 .14 0样品中存在着一个间隙氧弛豫运动引起的低频内耗峰 ,其内耗峰峰位置随额外氧的增多向高温移动 .而额外氧处于其间位置δ =0 .0 87样品中则出现了两个弛豫型内耗峰 ,分析认为它们源于体系相分离后形成的不同一维有序结构中间隙氧的跳跃 .此外 ,额外氧δ=0 .0 38样品中也观察到两个弛豫型内耗峰 ,其中低温峰性质与上相同 ,而高温内耗峰则可能对应于体系相分离后形成的低温四方相中氧原子的跳跃弛豫     

Chirality Quantum Phase Transition in Noncommutative Dirac Oscillator

The charged Dirac oscillator on a noncommutative plane coupling to a uniform perpendicular magnetic field is studied in this paper. We map the noncommutative plane to a commutative one by means of Bopp shift and study this problem on the commutative plane. We find that this model can be mapped onto a quantum optics model which contains Anti-Jaynes-Cummings (AJC) or Jaynes-Cummings (JC) interactions when a dimensionless parameter ζ (which is the function of the intensity of the magnetic field) takes values in different regimes. Furthermore, this model behaves as experiencing a chirality quantum phase transition when the dimensionless parameter ζ approaches the critical point. Several evidences of the chirality quantum phase transition are presented. We also study the non-relativistic limit of this model and find that a similar chirality quantum phase transition takes place in its non-relativistic limit.     

Berry Phase of Composite System Induced by Time-Dependent Interaction

The Berry phase in a composite system induced by the time-dependent interaction is discussed. We choose two coupled spin-1/2 systems as the composite system： one of the subsystems is subjected to a static magnetic field, and the coupling parameters between two spins are controllable in time. We show that the time-dependent interaction can induce the Berry phase in a similar way as that a spin-1/2 system （qubit） is driven by an effective time-dependent magnetic field. Furthermore, using two consecutive cycles with opposite directions of both the static magnetic field as well as opposite signs of the coupling parameters, a nontrivial two-qubit unitary transformation purely based on Berry phases can be constructed.     

拉曼光谱研究天然FeS2晶须结构及其相变规律

利用显微激光拉曼技术研究了山西耿庄天然纳-微米FeS2晶须的结构.发现FeS2晶须中有白铁矿和黄铁矿两种结构类型.较粗的藕节状、粗柱状、串珠状等不规则形貌为白铁矿相,直线状、平直、表面光滑的品须为黄铁矿相.耿庄FeS2晶须结晶生长早期以白铁矿相为主,中期是白铁矿和黄铁矿型结构共存,晚期以黄铁矿相为主.晶须生长过程有早期白铁矿结晶向晚期黄铁矿结晶转变的趋势.而且有黄铁矿包覆白铁矿的生长现象.FeS2晶须结构相变规律与形貌、形成时间和成分特点具有关联性.     

快速傅立叶变换微磁学方法

提出了一种具有快速傅立叶变换的微磁学(FFTM)方法,并应用于二维纳米磁性系统.计算结果表明,利用该方法得到的结果与采用截短相互作用距离直接求和计算偶极相互作用能的方法得到的结果基本一致,同时其计算精度和计算速度得到很大的改善.结果证明FFTM方法能快速有效地计算包含远距离偶极相互作用的磁性系统的磁特性.