Resonance phenomena and threshold features in positron—helium scattering

Investigations of resonances and threshold behaviors in positron-helium scattering have been made using the momentum-space coupled-channels optical method.The positronium formation channels are considered via an equivalent-local complex potential.The s-wave resonances and the Wigner cusp feature at the positronium(n = 1) formation threshold are compared with the previous reports.The p-and the d-wave resonances and a Wigner cusp feature at the positronium(n = 2) formation threshold are reported for the first time.     

Investigation of the free volume and ionic conducting mechanism of poly（ethylene oxide）-LiClO₄ polymeric electrolyte by positron annihilating lifetime spectroscopy

The positron annihilation lifetime and ionic conductivity are each measured as a function of organophilic rectorite(OREC) content and temperature in a range from 160 K to 300 K.According to the variation of ortho-positronium(o-Ps) lifetime with temperature,the glassy transition temperature is determined.The continuous maximum entropy lifetime(MELT) analysis clearly shows that the OREC and temperature have important effects on o-Ps lifetime and free volume distribution.The experimental results show that the temperature dependence of ionic conductivity obeys the Vogel-Tammann-Fulcher(VTF) and Williams-Landel-Ferry(WLF) equations,implying a free-volume transport mechanism.A linear least-squares procedure is used to evaluate the apparent activation energy related to the ionic transport in the VTF equation and several important parameters in the WLF equation.It is worthwhile to notice that a direct linear relationship between the ionic conductivity and free volume fraction is established using the WLF equation based on the free volume theory for nanocomposite electrolyte,which indicates that the segmental chain migration and ionic migration and diffusion could be explained by the free volume theory.     

Ultrasonic generation via direct interaction between photons and phonons in anharmonic lattice of ionic crystals

1 IlltroductionUsing the approach of nonlinear coupling between photons and boson-type elementaryexcitations in solid, as a new picture of interaction of light with condensed matter, we haveelucidated the mechanism of increasing absorption optical bistability[ll 1 and proposed a modelof mirrorless lasing actionl2'3]. It is proved also that the optic phonons in ionic crystal latticewith anhamonicity serve as an example of this boson--type elemelltary excitation[41. Here, infact, is contained an…     

Effects of Ni doping on the structural properties and collapse of magnetic ordering in NdFe_(1-x)Ni_xO_3(0.1 ≤x≤ 0.7) orthoferrites

Nd Fe_(1-x)Ni_xO_3(0.1 ≤ x ≤ 0.7) orthoferrites are synthesized by solid state reaction method, and the structural properties of these materials are investigated by employing x-ray diffraction(XRD), scanning electron microscopy(SEM) and M o¨ssbauer spectroscopy. The orthorhombic structure is observed in all systems; however, with the increase in Ni doping,the increase in tolerance factor and the decrease in the cell volume are observed. Orthorhombic distortion decreases with Ni content increasing up to 50%, while above 50% Ni doping it increases. SEM examination indicates the increases in grain size and intermixing of grains with increase in Ni concentration. Comparison between bulk and theoretical densities shows that in each of all samples porosity is less than 2%. M?ssbauer spectroscopic investigations are performed to explain local structure, Fe oxidation states and collapse of the magnetic ordering. In these samples the Fe oxidation state remains+3 and there is no considerable increase in hole states observed; however due to mismatch of the ionic radii between Fe~(3+) and Ni~(3+), octahedral distortions, sagging and distribution of hyperfine parameters increase with increase in Ni concentration. The major factors behind the collapse of magnetic ordering in the Ni-doped systems are the weakening of the super-exchange interactions, decrease in the Neel temperature, increase in spin–spin relaxation frequency and high spin to low spin transition.     

Localized self-trapping in two-dimensional molecular lattice with interaction between Wannier-Mott excitons and phonon lattice

We investigate the interactions of lattice phonons with Wannier-Mott exciton, the exciton that has a large radius in two-dimensional molecular lattice, by the method of continuum limit approximation, and obtain that the self-trapping can also appear in two-dimensional molecular lattice with a harmonic and nonlinear potential. The exciton effect on molecular lattice does not distort the molecular lattice but only makes it localized and the localization can also react, again through phonon coupling, to trap the energy and prevents its dispersion.     

Growth and transport properties of CaFeAsF_(1-x) single crystals

Using self-flux method,we have successfully grown the parent phase of the single crystals of CaFeAsF1-x.The X-ray di?raction indicates good crystallinity.In-plane resistivity shows a bad metallic behavior with a sharp drop of resistivity at about T SDW=119K.This anomaly is associated with the possible spin density wave(SDW)order.Interestingly near T SDW,the resistivity exhibits a cusp-like feature,which may be understood as the strong coupling effect between the electrons and the antiferromagnetic(AF)spin fluctuations.A reduction of fluorine or application of a high pressure will suppress the SDW feature and induce superconductivity.Hall effect measurements reveal a positive Hall coefficient below T SDW indicating a dominant role of the hole-like charge carriers in the parent phase.Strong magnetoresistance has been observed below T SDW suggesting multiple conduction channels of the charge carriers.     

The crystal structure and luminescent properties of nitrogen-rich Ca-α-sialon：Eu with saturated calcium solubility fabricated by the alloy-nitridation method

Nitrogen-rich Ca-α-sialon: Eu2+ phosphors with saturated calcium solubility are synthesized through a solid- state reaction (SSR) at 2173 K with stable alloy and nitride as the starting materials. The Ca1.83-1.5xSi8.34Al3.66OxN16-x : xEu phosphors have intensive orange emissions, whose peaks are located at approximately 585-600 nm, and the emission wavelengths tend to shift toward the red region when the Eu concentrations increase from 0.5% to 18% (mole percentage). When the Eu concentration is equal to 9%, the phosphors suffer from concentration quenching. The low-temperature photoluminescence properties indicate that Ca1.83-1.5xSi8.34Al3.66OxN16x : xEu phosphors show excellent thermal quenching. The crystal structures of Ca1.83-1.5xSi8.34Al3.66OxN16x : xEu are also investigated, and are found to have nitrogen-rich compositions with saturated calcium cations at the interstitial sites of the α-sialons. In addition, the influencing factors of α-sialons with different compositions on the crystal lattice are discussed in detail.     

Relationship between Spreading Rate and Wetting Behaviour of Oil on Surface of Surfactant Solution

We report a systematic investigation of the spreading of a polydimethylsiloxane oil layer on fiat surfaces of solution containing anionic surfactant of sodium dodecylsulfate. The experiment reveals that different wetting behaviours of the oil follow different spreading rates. In the case of complete wetting, it obeys a 0.75 power law, while in the pseudopartial wetting it follows a non-power law. The results can well be explained by a new simple theory of spreading. The theory further predicts that for a complete wetting state there exists another spreading rate.     

Optical vibration modes and electron－phonon interaction in ternary mixed crystals of polar semiconductors

Optical vibrations of the lattice and the electron－phonon interaction in polar ternary mixed crystals are studied in the framework of the continuum model of Born and Huang and the random-element-isodisplacement model. A normal-coordinate system to describe the optical vibration in ternary mixed crystals is correctly adopted to derive a new Fr?hlich-like Hamiltonian for the electron－phonon interaction including the unit-cell volume variation influence. The numerical results for the phonon modes, the electron－phonon coupling constants and the polaronic energies for several typical materials are obtained. It is verified that the nonlinearity of the electron－phonon coupling effects with the composition is essential and the unit-cell volume effects cannot be neglected for most ternary mixed crystals.     

Site preference and thermodynamic properties of R3Ni13-xCoxB2（R=Y,Nd and Sm）

This paper investigates the structural stability of intermetallics R3Ni13-xCoxB2(R=Y,Nd and Sm) with Nd 3 Ni 13 B 2-type structure and the site preferences of the transition element Co by using a series of interatomic pair potentials.The space group remains unchanged upon substitution of Co for Ni in R3Ni13-xCoxB2 and the calculated lattice constants are found to agree with reports in literatures.The calculated cohesive energy curves show that Co atoms substitute for Ni with a strong preference for the 3g sites and the order of site preference is 3g,4h and 6i.Moreover,the total and partial phonon densities of states are first evaluated for the R 3 Ni 13 B 2 compounds with the hexagonal Nd 3 Ni 13 B 2-type structure.     

闪锌矿结构晶体的正电子体寿命计算

在局域密度近似理论(LDA)和广义梯度近似理论(GGA)的基础上,用中性原子叠加的方法(ATSUP),理论上对亚铜的卤化物(CuF除外,因为它不是闪锌矿结构)及某些硼化物进行计算,计算结果与实验符合得很好;其次,计算了其他具有闪锌矿结构的众多晶体的正电子体寿命,得到的结果与其他文献计算的结果符合得较好,文中以CuCl晶体为例,给出了正电子在其中的势能分布,概率密度分布与湮没率分布;最后,这些系统性的正电子体寿命结果被拟合成晶格常数的函数,拟合结果与其他一些文献的结果做了比较. 关键词： 正电子体寿命 闪锌矿结构     

完美晶体中正电子体寿命计算的几种方法的分析与比较

以正电子寿命为探测对象的正电子湮没寿命谱技术在研究半导体等材料的微缺陷方面得到了广泛的应用,它对晶体的结构类型、缺陷种类以及温度等十分敏感,因此,理论上正电子寿命的快速精确计算与实验数据的结合分析显得尤为重要. 采用中性原子叠加模型、赝势方法和全势方法处理正电子局域势能,有限差分方法自洽求解正电子波函数,局域密度近似和广义梯度近似处理正电子电子关联势和增强因子,以体心立方结构的α-Fe、面心立方结构的Al和复式面心立方结构的Si三种单晶固体为例,分别计算了它们的正电子体寿命,计算值与相应的实验结果和其他计算结果均符合较好. 同时细致分析了这几种方法在电子密度网格点精度、正电子电子关联势和增强因子等方面对正电子体寿命计算的影响,探讨了这几种方法在计算正电子体寿命方面各自的优缺点. 关键词： 正电子体寿命 完美晶体 正电子电子关联势 增强因子     

化合物半导体材料的正电子寿命计算

在局域密度理论（LDA）和广义梯度理论（GGA）的基础上计算了ZnO,GaN,GaAs,SiC和InP五种化合物半导体材料中的正电子湮没信息,包括化合物半导体材料中的自由态正电子的湮没寿命;还有不同类型空位（单空位,双空位）附近俘获的束缚态正电子密度分布和湮没率分布,以及束缚态正电子的湮没寿命. 关键词： 半导体 正电子寿命     

元素周期表中元素单晶基于局域密度理论的正电子寿命计算

在局域密度近似理论（LDA）的基础上用中性原子叠加模型和有限插分方法（SNA-FD）计算了元素周期表中各种元素单晶的正电子体寿命和单空位寿命.分析了不同结构的单晶中自由正电子的分布信息和湮没信息.元素单晶的正电子寿命计算值与文献中的实验测量值相符合,表明LDA基础上的SNA-FD方法可以作为单晶中正电子湮没理论计算的有效研究手段. 关键词： 局域密度近似理论 正电子寿命     

Polydimethylsiloxane rubber gamma radiation effect studies by positron annihilation lifetime spectroscopy

Polydimethylsiloxane rubber was irradiated at various radiation doses up to 800 kGy in air. The lifetime and intensity of the long component τ₃ were obtained by positron annihilation lifetime spectroscopy (PALS). The crystallization property and the molecular flexibility were estimated using the differential scanning calorimetry and dynamic thermomechanic analysis. Thermal volatile property was determined by thermogravimetry analysis. It was proved that the cross-linking reaction made the chain flexibility of the rubber to reduce gradually during gamma radiation, which resulted in the reduction of the o-Ps intensity observed by PALS. Although the degradation effect existed during gamma radiation, it was still less significant than the cross-linking effect when the radiation dose was up to 800 kGy.     

The application of artificial neural networks to the inversion of the positron lifetime spectrum

A new method of processing positron annihilation lifetime spectra is proposed.It is based on an artificial neural network(ANN)-back propagation network(BPN).By using data from simulated positron lifetime spectra which are generated by a simulation program and tested by other analysis programs,the BPN can be trained to extract lifetime and intensity from a positron annihilation lifetime spectrum as an input.In principle,the method has the potential to unfold an unknown number of lifetimes and their intensities from a measured spectrum.So far,only a proof-of-principle type preliminary investigation was made by unfolding three or four discrete lifetimes.The present study aims to design the network.Besides,the performance of this method requires both the accurate design of the BPN structure and a long training time.In addition,the performance of the method in practical applications is dependent on the quality of the simulation model.However,the chances of satisfying the above criteria appear to be high.When appropriately developed,a trained network could be a very efficient alternative to the existing methods,with a very short identification time.We have used the artificial neural network codes to analyze data such as the positron lifetime spectra for single crystal materials and monocrystalline silicon.Some meaningful results are obtained.     

Self-consistent field method and non-self-consistent field method for calculating the positron lifetime

Many methods are used to calculate the positron lifetime,these methods could be divided into two main types.The first method is atomic superposition approximation method and the second one is the so called energy band calculation method.They are also known as the non-self-consistent field method and self-consistent field method respectively.In this paper,we first introduce the two basic methods and then,we take Si as an example and give our calculation results,these results coincide with our latest experimental results,finally,we discuss the advantages and disadvantages of the two methods.     

铝纳米晶的正电子湮没研究

采用自悬浮定向流-真空热压法,在不同压强下制得铝纳米晶材料,并利用X射线衍射(XRD)和正电子湮没寿命谱(PALS)分析手段对铝纳米晶的结构和微观缺陷进行表征.XRD分析表明:所制备的铝纳米晶的晶粒度为48 nm.PALS分析表明:铝纳米晶的微观缺陷主要为类空位以及空位团,而微孔洞很少;短寿命τ1,中间寿命τ2以及其对应的强度I1,I2随压强变化而呈现阶段性变化;压制压强(P)低于0.39 GPa时制得的纳米晶空位团随压强的增加而逐渐转变为类空位;0.39 GPa P 0.72 GPa时,各类缺陷发生消除;P 0.72 GPa时,各类缺陷进一步发生消除.随压强的提高,铝纳米晶的密度增加,其显微硬度也明显增高.     

质子辐照空间级硅橡胶的正电子淹没寿命谱研究

 用正电子淹没寿命谱方法（PALS）研究了质子辐照对空间级硅橡胶KH-L-Y微观结构的影响。试验结果表明，PALS谱所揭示的最长寿命成分的t₃, I₃及自由体积分数Vf随辐照剂量的增加开始明显下降；而当辐照剂量大于10¹⁵cm^-2后，随剂量的增加平缓上升。辐照剂量小于10¹⁵cm^-2时，质子辐照使硅橡胶自由体积减小，分子链间堆砌紧密；辐照剂量大于10¹⁵cm^-2时，质子辐照使硅橡胶自由体积增大。交联密度及DMA测试结果同样表明，质子辐照在剂量较小时硅橡胶的交联密度及玻璃化转变温度增加，辐照以交联效应为主；而剂量较大时辐照降解占优势。     

Decay lifetime and evolution of semiconductor quantum dots in photonic crystals

Spontaneous emission from GaAs/AlGaAs quantum dots (QDs) embedded in photonic crystals with a narrow photonic band gap is studied theoretically. The results show that the decay lifetime is very sensitive to the sizes of QDs, and both inhibited and accelerated emission can occur, which had been indicated in a previous experiment. The Weisskopf–Wigner approximation, good for atoms and molecules, may be incorrect for QDs. A damped Rabi oscillation of the excited state with the transition frequency outside the photonic band gap may appear, which is impossible for atoms and molecules.