Extended X-ray absorption fine structure measurements of laser-shocked V and Ti and crystal phase transformation in Ti

Extended x-ray absorption fine structure (EXAFS), using a laser-imploded target as a source, can yield the properties of laser-shocked metals on a nanosecond time scale. EXAFS measurements of vanadium shocked to approximately 0.4 Mbar yield the compression and temperature in good agreement with hydrodynamic simulations and shock-speed measurements. In laser-shocked titanium at the same pressure, the EXAPS modulation damping is much higher than is warranted by the predicted temperature increase. This is shown to be due to the alpha-Ti to omega-Ti crystal phase transformation, known to occur below approximately 0.1 Mbar for slower shock waves.     

Many-particle-effects in the theory of the extended X-ray absorption fine structure

The Lee-Beni-procedure for the calculation of the extended X-ray absorption fine structure (EXAFS) is extended so as to include the effects of the electronic charge density outside the localized muffin-tin potentials. In our scheme EXAFS is caused by back-scattering of an elementary excitation of a homogeneous electron gas by localized energy dependent many-particle muffin-tin potentials. The difference between the two schemes is negligible at large k's, as expected from physical grounds. However, at small and intermediate k-values the difference is quite large. The effect of the outer electrons as compared to the Lee-Beni-model is twofold. First, they renormalize the scattered electron in the usual way. Second, they are missing within the scattering muffin-tins. Hence, we avoid to count some of the electrons twice. Results are presented for Cu as an example.     

Effects of proton irradiation on structure of NdFeB permanent magnets studied by X-ray diffraction and X-ray absorption fine structure

The effects of proton irradiation on the structure of NdFeB permanent magnet were investigated by X-ray diffraction and X-ray absorption fine structure (XAFS). The results reveal that proton irradiation has no effect on the long-range structure, but significantly affects the atomic local structure of the NdFeB magnet. The alignment degree of the magnet decreases and the internal stress of the lattice increases after proton irradiation. XAFS results show that the coordination number of Fe-Nd in the first neighboring coordination shell of the Fe atoms decreases and the disorder degree increases.     

Optical corrections in measurements of photoionization cross sections from solids in the soft X-ray range

We present measurements of photoelectron flux from the 4d band of Pd in the photon energy range 70–200eV. A comparison between measurements at different light incidence angles demonstrates the effect of the optical corrections (reflectivity and refraction) needed in the measurement of photoionization cross sections. It is shown that simple model calculations account satisfactorily for this effect.     

Local structure of Fe-doped In 2 O 3 films investigated by X-ray absorption fine structure spectroscopy

$(\mathrm{In}_{1-x}\mathrm{Fe}_{x})_{2}\mathrm{O}_{3}$ $(x=0.07, 0.09, 0.16, 0.22, 0.31)$ films were deposited on Si (100) substrates by RF-magnetron sputtering technique. The influence of Fe doping on the local structure of films was investigated by X-ray absorption spectroscopy (XAS) at Fe K-edge and L-edge. For the $(\mathrm{In}_{1-x}\mathrm{Fe}_{x})_{2}\mathrm{O}_{3}$ films with $x=0.07, 0.09 \mbox{ and } 0.16$ , Fe ions dissolve into $\mathrm{In}_{2}\mathrm{O}_{3}$ and substitute for $\mathrm{In}^{3+}$ sites with a mixed-valence state ( $\mathrm{Fe}^{2+}/\mathrm{Fe}^{3+}$ ) of Fe ions. However, a secondary phase of Fe metal clusters is formed in the $(\mathrm{In}_{1-x}\mathrm{Fe}_{x})_{2}\mathrm{O}_{3}$ films with $x=0.22 \mbox{ and } 0.31$ . The qualitative analyses of Fe-K edge extended X-ray absorption fine structure (EXAFS) reveal that the Fe–O bond length shortens and the corresponding Debye–Waller factor ( $\sigma^{2}$ ) increases with the increase of Fe concentration, indicating the relaxation of oxygen environment of Fe ions upon substitution. The anomalously large structural disorder and very short Fe–O distance are also observed in the films with high Fe concentration. Linear combination fittings at Fe L-edge further confirm the coexistence of $\mathrm{Fe}^{2+}$ and $\mathrm{Fe}^{3+}$ with a ratio of ${\sim}3:2$ ( $\mathrm{Fe}^{2+}: \mathrm{Fe}^{3+}$ ) for the $(\mathrm{In}_{1-x}\mathrm{Fe}_{x})_{2}\mathrm{O}_{3}$ film with $x=0.16$ . However, a significant fraction ( ${\sim}40~\mbox{at\%}$ ) of the Fe metal clusters is found in the $(\mathrm{In}_{1-x}\mathrm{Fe}_{x})_{2}\mathrm{O}_{3}$ film with $x=0.31$ .     

Study of metglas 2605 CO by extended and near edge X-ray absorption fine structure

Extended X-ray absorption fine structure (EXAFS) and X-ray absorption near edge structure (XANES) studies of the transition metal sites in Metglas 2605 CO (Fe₆₇Co₁₈B₁₄Si₁) illustrate differences in the two sites. The average transition metal distance, obtained by standard EXAFS analysis, is larger for iron than for cobalt sites in this material. The XANES for Co and Fe are nearly identical except for a shift of the Co fine structure to high energy relative to that of Fe; the sign and magnitude of this shift is commensurate with the EXAFS results. Finally, there was no detected polarization dependence of the EXAFS, indicating that the structural manifestations of the magnetic anisotropy in this material are smaller than the detection limits of these experiments.     

Size-selective extended X-ray absorption fine structure spectroscopy of free selenium clusters

In a recent paper [M. Yao et al., J. Synchrotron Radiat. 8, 542 (2001)]], we proposed a new method for the size-selective EXAFS (extended x-ray absorption fine structure) of neutral-free clusters, in which not only the x-ray absorption process but also the deexcitation processes are utilized as the structural information. In order to verify this method experimentally, we have developed the synchronous measurements of EXAFS and photoelectron photoion coincidence and carried them out for a Se cluster beam by utilizing the third-generation intense x-ray source. The EXAFS spectra for Se small clusters have been obtained and compared critically with theoretical predictions.     

Characterization of oxide layers formed on electrochemically treated Ti by using soft X-ray absorption measurements

The oxide layers of electrolytic oxidized titanium (Ti) were characterized using Ti L_2,3 and O K edge X-ray absorption. The spectra show that the structure of the oxide layers that are formed during a 1 min treatment are dependent on the concentration of the electrolyte (H₂SO₄ or Na₂SO₄) with which the Ti surface was treated, and also on the magnitude of the potential that was applied during the anodic oxidation process (100 V or 150 V). It is found that a potential of 150 V and an electrolyte concentration of 0.5 M or 1.0 M produces a layer of TiO₂ having rutile crystal structure.     

Finite difference method calculations of X-ray absorption fine structure for copper

The finite difference method is extended to calculate X-ray absorption fine structure (XAFS) for solid state copper. These extensions include the incorporation of a Monte Carlo frozen phonon technique to simulate the effect of thermal vibrations under a correlated Debye–Waller model, and the inclusion of broadening effects from inelastic processes. Spectra are obtained over an energy range in excess of 300 eV above the K absorption edge—more than twice the greatest energy range previously reported for a solid state calculation using this method. We find this method is highly sensitive to values of the photoelectron inelastic mean free path, allowing us to probe the accuracy of current models of this parameter, particularly at low energies. We therefore find that experimental data for the photoelectron inelastic mean free path can be obtained by this method. Our results compare favourably with high precision measurements of the X-ray mass attenuation coefficient for copper, reaching agreement to within 3%, and improving previous results using the finite difference method by an order of magnitude.     

Extended X-ray absorption fine structure studies of thulium doped GaN epilayers

The local structure of Tm³⁺ ions incorporated into GaN epilayers was studied by means of Extended X-ray Absorption Fine Structure. The samples were doped either in situ during growth by Molecular Beam Epitaxy or by ion implantation of layers grown by Metal Organic Chemical Vapour Deposition. The implantation was done at ion energy of 300 keV and different nominal fluences of 3×10¹⁵, 4×10¹⁵ cm⁻² and 5×10¹⁵ cm⁻². The concentration of Tm in the samples studied was measured by Wavelength Dispersive X-ray analysis. For the in situ doped sample with concentration of 0.5%, and for all of the implanted samples, Tm was found on the Ga site in GaN. The ion implanted sample and an in situ doped sample with a similar concentration of Tm showed the same local structure, which suggests that the lattice site occupied by Tm does not depend on the doping method. When the average Tm concentration for in situ doped samples is increased to 1.2% and 2.0%, Tm is found to occupy the Ga substitutional site and the presence of a substantial number of Tm ions in the second coordination sphere indicates dopant clustering in the films. The formation of pure TmN clusters was found in an in situ doped sample with a dopant concentration of 3.4%.     

运用光声压电技术测定固体热扩散率

根据简化的热弹理论模型,运用光声压电技术测定团体材料的热扩散率。在优化的实验条件下,实现了对Al2O3短纤维增强铝合金基SAE321的复合材料Al2O3x/SAE321热扩散率的测量。结果表明,该方法简单快捷,不但能准确地测量均匀固体的热扩散率,而且能有效检测微观不均匀材料的等效热扩散率。     

Quantitative depth profiling of photoacid generators in photoresist materials by near-edge X-ray absorption fine structure spectroscopy

Near-edge X-ray absorption fine structure (NEXAFS) spectroscopy was used to quantify the surface composition and depth profiling of photoacid generators in thin film photoresist materials by varying the entrance-grid bias of a partial electron yield detector. By considering model compositional profiles, NEXAFS distinguishes the surface molar excess within the top 6 nm from the bulk. A surface enriched system, triphenylsulfonium perfluorooctanesulfonate, is contrasted with a perfluorobutanesulfonate photoacid generator, which displays an appreciable surface profile within a 6 nm segregation length scale. These results, while applied to 193-nm photoresist materials, highlight a general approach to quantify NEXAFS partial electron yield data.     

Chemical states of nitrogen in ZnO studied by near-edge X-ray absorption fine structure and core-level photoemission spectroscopies

Interaction of low-energy nitrogen ions with ZnO surface has been studied by photoemission spectroscopy (PES) around N 1s core-level and near-edge X-ray absorption fine structure (NEXAFS) around N K-edge. Nitrogen can break Zn-O bonds at the surface and form N-O, Zn-N or Zn-N-O bonds, characterised by specific chemical shifts in PES or absorption peaks in NEXAFS. A distinctive signal from molecular nitrogen has also been observed in ion-bombarded samples in both NEXAFS and PES.     

In situ X-ray absorption fine structure detection of reversible photoinduced anisotropy in amorphous selenium

Photoinduced anisotropy in amorphous selenium ( a-Se) has been studied by in situ x-ray absorption fine structure spectroscopy. It is found that upon irradiation with linearly polarized light the chainlike fragments in a-Se are oriented with their c-axis perpendicular to the polarization plane of the inducing light. This chain orientation is reversible, correlates with optical anisotropy, and acts as a prelude to photoinduced anisotropic crystallization. This optically controlled reorientation of molecular fragments in a solid can be a basis for future novel devices.     

Effects of alloying elements on the electronic structure and ductility of NiAl compounds investigated by X-ray absorption fine structure

The Ni L_3,2-edge spectra of the pure Ni, pure NiAl and alloying-element-doped NiAl compounds were obtained by synchrotron radiation X-ray absorption fine structure (XAFS). Due to orbital hybridization effect, directional covalent-type bonds formed and decreased the ductility during forming NiAl. Combining the XAFS spectra analysis and electronegativity comparison, the effects of alloying elements on the electronic structure and then the ductility of the NiAl compounds were obtained. The results showed that Cr, Co, Mo, Ru and W doping could be beneficial to the ductility by both weakening the directional bonds along the <111> direction and enhancing the d–d interactions of the transition metals–Ni atom pair, namely by the transition from covalent bonds to metallic bonds which was beneficial for dislocation to migrate. The results agreed well with the available experimental data and other theoretical results, proving that the model linking the electronic structure and ductility is reliable and can be used as guidance for alloy design.     

Multiphoton emissions in laser-assisted soft X-ray absorption

Cross sections of soft X-ray absorption accompanied by laser multiphoton absorptions or emissions are calculated, showing that under the usual choice of the relevant parameters the stimulated multiphoton emissions by the ejected electrons prevail considerably over the absorptions.     

神光III原型上扩展X射线吸收精细结构谱实验研究

介绍了在大型激光装置上进行 扩展X射线吸收精细结构(EXAFS)谱压缩物态参数测量的基本原理,以及为获得高质量EXAFS谱在神光III原型装置上进行的实验研究。实验采用玻璃靶球、CH靶丸和金球作为EXAFS谱测量的背光源,通过多发次叠加、光子数累积的方法获得了信噪比良好的金属Ti在常温常压下的EXAFS谱,数据处理结果表明,实验测得的金属Ti EXAFS谱拟合结果与同步辐射实验拟合结果相吻合,表明实验设计的正确性与可靠性。对实验结果的分析表明,影响EXAFS谱质量的因素主要是光子计数、测量系统谱分辨率、噪声以及实验器件上的瑕疵。

     

Icosahedral order in Cu-Zr amorphous alloys studied by means of X-ray absorption fine structure and molecular dynamics simulations

We have used the X-ray absorption fine structure method and molecular dynamics (MD) simulations to characterize atomic order in Cu-Zr metallic glasses (MGs). The microstructure of these MGs is described in terms of interconnected icosahedral-like clusters (superclusters) which are basic building units reproducing the stoichiometry of the system. The equilibrium MD configurations are used as an input for ab initio calculations of the extended X-ray absorption fine structure (EXAFS) and X-ray absorption near-edge structure (XANES) spectra. The theoretical EXAFS and XANES spectra are compared with those measured for rapidly quenched glassy Cu-Zr alloys. We demonstrate that the experimental results are well reproduced by EXAFS modeling of the population of the superclusters derived from the MD configuration. The average local structural motif can be approximated by Cu-centered icosahedral-like cluster satisfying the condition of maximal local packing efficiency and approximating the system stoichiometry. The simulated XANES exhibits good agreement with experiment, indicating that the atomic order of the MD configuration is consistent with that of the real alloy structure over distances of about 1?nm.     

软X射线光导纤维传输特性

 为优化设计软X射线聚束透镜,使之与软X射线源配合能最大限度地获得高强度软X射线束,在北京同步辐射装置软X光站3W1B束线上,对不同能量软X射线（50～1 500 eV）在不同规格毛细管光导纤维中的传输特性进行研究。研究结果表明：玻璃毛细管对软X光有较高的传输效率,毛细管内径越小,曲率越小,光子能量越小,则传输效率越大;使用含硼（B）量高的DM308型号玻璃材料拉制成内直径为0.45 mm﹑外直径为0.6 mm的毛细管组成的软X光聚束透镜有较高的传输效率,该规格毛细管可以将能量为250 eV的X射线传播方向改变26°后,其出射能量是入射能量的12%;使用由该规格毛细管设计的软X射线聚束透镜同软X射线点光源组合,收光角可以达到30°,透镜焦点处的功率密度是不使用透镜时的104倍。