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81.
本文用多组态HXR自洽场方法和优化以Slater径向积分法相结计算了类锂离子(Z=13~17,19)1s~2nl~2LJ(2≤n≤5,0≤l≤4)能级之间的跃迁波长和振子强度,并和实验进行了比较。就软X射线激光跃迁4f—3d而言,本文计算的波长值比其它文献的计算值更接近于观测值。 相似文献
82.
Nicolae Tomozeiu 《Applied Surface Science》2006,253(1):376-380
Thin films of a-SiOx (0 < x < 2) were prepared by reactive r.f. magnetron sputtering from a polycrystalline-silicon target in an Ar/O2 gas mixture. The oxygen partial pressure in the deposition chamber was varied so as to obtain films with different values of x. The plasma was monitored, during depositions, by optical emission spectroscopy (OES) system. Energy dispersive X-ray (EDX) measurements and infra-red (IR) spectroscopy were used to study the compositional and structural properties of the deposited layers.Structural modifications of SiOx thin films have been induced by UV photons’ bombardment (wavelength of 248 nm) using a pulsed laser. IR spectroscopy and X-ray photoemission spectroscopy (XPS) were used to investigate the structural changes as a function of x value and incident energy. SiOx phase separation by spinodal decomposition was revealed. The IR peak position shifted towards high wavenumber values when the laser energy is increased. Values corresponding to the SiO2 material (only Si4+) have been found for laser irradiated samples, independently on the original x value. The phase separation process has a threshold energy that is in agreement with theoretical values calculated for the dissociation energy of the investigated material.For high values of the laser energy, crystalline silicon embedded in oxygen-rich silicon oxide was revealed by Raman spectroscopy. 相似文献
83.
B. Sahoo W. Keune E. Schuster W. Sturhahn T. S. Toellner E. E. Alp 《Hyperfine Interactions》2006,168(1-3):1185-1190
Amorphous (a-) Fe x Mg1?x alloys are interesting materials for the investigation of non-Debye-like low-energy vibrational excitations. We have prepared a-Fe x Mg1?x alloy thin films (0.3 ≤ × ≤0.7) by vapour quenching. The amorphous state was confirmed by conversion electron Mössbauer spectroscopy between 4.2–300 K, and the x- and temperature-dependence of the isomer shift and hyperfine magnetic field was measured. For x= 0.6 and 0.7, magnetic ordering occurs below ~150 K. The atomic vibrational density of states, g(E), was determined by nuclear resonant inelastic scattering, providing clear evidence for the non-Debye-like low-energy vibrational excitations. 相似文献
84.
Alignment of photon-induced L3 vacancies is studied in rare earth and highZ elements at energies of experimental interest, near thresholds to 60 keV, under nonrelativistic dipole approximation. Numerical
calculations of the matrix element are undertaken to produce theoretical data for comparison with the experimental findings.
The A2 values being s>0.1 at photoelectron energies <20 keV are certainly higher than 5–8% uncertainties quoted in experimental
results. Present findings are from a very basic model, hydrogen-like and can further be treated as reference to observe the
impact of screening, relativistic, multipole and retardation corrections to the model 相似文献
85.
L. T. Eremenko L. B. Romanova M. E. Ivanova I. L. Eremenko S. E. Nefedov Yu. T. Struchkov 《Russian Chemical Bulletin》1994,43(4):619-623
An effective method of esterification of 1,4-cubanedicarboxylic acid with alkylsulfuric acids is proposed. The derivatives of alkanols with substantially different pKa Valus are obtained in high yields. Molecular structures of the esters obtained are confirmed by various methods. The X-ray study showed a remarkable effect of the nature of an alkyl radical on the geometry of the cubane core.Translated fromIzyestiya Akademii Nauk. Seriya Khimicheskaya, No. 4, pp.668–672, April, 1994.The authors thank Dr. G. V. Lagodzinskaya for analyzing the NMR spectra and for useful discussions. 相似文献
86.
The TG and DTA curves and diffractograms of powdered CeO2 samples irradiated with a CO2 laser beam with powers of 0.41–1.39 kW/cm2 are presented. The laser treatment induced structural changes and probably generation of a metastable phase. X-ray diffraction coupled with thermal analysis was used to establish the structural modifications in the irradiated samples after heating. 相似文献
87.
Manju Rajeswaran Thomas N. Blanton David R. Whitcomb Nicholas Zumbulyadis Brian J. Antalek Scott T. Misture 《Journal of solid state chemistry》2006,179(4):1053-1059
In continuation of our interest in solid-state structures of silver complexes of photographic importance, the structure for silver benzotriazole (AgBZT), has now been obtained. The preferred method for solving crystal structures is via single-crystal X-ray diffraction (XRD). However, for some materials, growing single crystals of appropriate size and quality is often difficult or even impossible. AgBZT is an example of such a silver complex with poor solubility. The usual routes to preparing single crystals using recrystallization from a cooperating solvent resulted in polycrystalline powder samples. We propose a crystal structure for AgBZT, solved from synchrotron X-ray powder diffraction data, using a direct-space Monte Carlo simulated annealing approach. AgBZT crystals are monoclinic, (P21/c), with unit cell dimensions, a=14.8052(3) Å, b=3.7498(4) Å, c=12.3495(12) Å, and β=114.200(6)°. The AgBZT complex is constructed from all three of the Benzotriazole (BZT) nitrogens bonding to a separate silver atom. As a consequence of this bonding mode, the structure is a highly cross-linked, coordination polymer. 相似文献
88.
With the solid phase reaction between pulsed-laser-deposited (PLD) ZnOfilm and α-Al2O3 substrate, ZnAl2O4/α-Al2O3 complex substrates were synthesized. X-ray diffraction (XRD) spectra show that as the reaction proceeds, ZnAl2O4 changes from the initial (111)-oriented single crystal to poly-crystal, and then to inadequate (111) orientation. Corresponding scanning electron microscope (SEM)images indicate that the surface morphology of ZnAl2O4 transforms from uniform islands to stick structures, and then to bulgy-line structures. In addition, XRDspectra present that ZnAl2O4 prepared at low temperature is unstable at the environment of higher temperature. On the as-obtained ZnAl2O4/α-Al2O3 substrates, GaN films were grown without any nitride buffer using light-radiation heating low-pressure MOCVD (LRH-LP-MOCVD). XRD spectra indicate that GaN film on this kind of complex substrate changes from c-axis single crystal to poly-crystal as ZnAl2O4 layer is thickened. For the single crystal GaN, its full width at half maximum (FWHM) of X-ray rocking curve is 0.4°. Results indicate that islands on thin ZnAl2O4 layer can promote nucleation at initial stage of GaN growth, which leadsto the (0001)-oriented GaN film. 相似文献
89.
90.
系列类立方烷型Fe4S4簇合物的XPS分析 总被引:1,自引:0,他引:1
对7种类立方烷型Fe_4S_4簇合物进行了XPS分析,得到了中心离子Fe的价态,给出了系列Fe_4S_4中骨架硫的结合能,由峰合成结果给出各种S、N的比例与按结构式计算的结果相同。 相似文献