Fe离子M壳层不可分辨跃迁系不透明度研究

在活动星系核吸收光谱中存在着一种重要的吸收特征——铁元素的M 壳层不可分辨跃迁系吸收谱, 认识这种特征对于活动星系核区的物理性质的研究具有重要的意义. 利用细致谱线模型, 对实验室中获得的吸收谱进行了理论计算和分析, 较好地重现了实验结果中主要的吸收结构, 同时计算了温度为10-50 eV的预测吸收谱,用于活动星系核光谱的研究.     

Inner shell excitation of CH 3F,CH 3Cl,CH 3Br and CH 3I by 2.5 keV electron impact

Small angle inelastic scattering of 2.5 keV electrons was used to study inner shell excitation in the methyl halides at energy transfers between 50 and 700 eV. Discrete peaks due to the excitation of carbon K, fluorine K, chlorine L, bromine M_{4, 5} and iodine N _{4, 5} electrons were observed. Correlations through the methyl halide series were used to aid in the assignment of features in the carbon K-shell spectra. A comparison of halogen inner-shell excitation structures with the carbon K-shell excitation structure in the same molecule allowed a complete assignment of all spectral features. The assignments proposed involve promotions of inner shell electrons to unoccupied valence and Rydberg orbitals. On the basis of our assignments of the chlorine L- and carbon K-shell electron energy loss spectra of CH ₃Cl we propose an alternate assignment of the previously reported CH ₃Cl chlorine K-shell photoabsorption spectrum.     

Investigation of the multiplet features of SrTiO3 in X‐ray absorption spectra based on configuration interaction calculations

Synchrotron‐based L_2,3‐edge absorption spectra show strong sensitivities to the local electronic structure and chemical environment. However, detailed physical information cannot be extracted easily without computational aids. Here, using the experimental Ti L_2,3‐edges absorption spectrum of SrTiO₃ as a fingerprint and considering full multiplet effects, calculations yield different energy parameters characterizing local ground state properties. The peak splitting and intensity ratios of the L₃ and L₂ set of peaks are carefully analyzed quantitatively, giving rise to a small hybridization energy around 1.2 eV, and the different hybridization energy values reported in the literature are further addressed. Finally, absorption spectra with different linearly polarized photons under various tetragonal crystal fields are investigated, revealing a non‐linear orbital–lattice interaction, and a theoretical guidance for material engineering of SrTiO₃‐based thin films and heterostructures is offered. Detailed analysis of spectrum shifts with different tetragonal crystal fields suggests that the e_g crystal field splitting is a necessary parameter for a thorough analysis of the spectra, even though it is not relevant for the ground state properties.     

On-line monitoring of Au nanoparticles formation by optical spectroscopy

X-Ray Magnetic Circular Dichroism experiments have been conducted on a vanadium inorganic salt and a vanadium enamino-ketone complex. Measurements at the K edge of oxygen and nitrogen reveal the amount of magnetic moment transferred in the 2p orbitals of the ligand atoms from the magnetic V ion. Measurements at the L edge of vanadium show that the orbital moment is small and that J = L + S, contrary to the expected J = L-S coupling for a 3d metal with less than five d-electrons. This surprising inobservance of Hunds third rule emphasizes the need for more detailed studies and calculations on such hybrid molecules.Received: 19 November 2003, Published online: 20 April 2004PACS: 75.20.-g Diamagnetism, paramagnetism, and superparamagnetism - 75.70.Ak Magnetic properties of monolayers and thin films - 78.70.Dm X-ray absorption spectra     

Measurement ofL-shell photoelectric cross sections in highZ elements at 60 keV

L-shell photoelectric cross sections have been measured at 60 keV for six elements in the range 74≤Z≤92. The measurements are found to agree with theoretical calculations.     

Measurement ofL-shell photoelectric cross-sections in lower intermediateZ elements at 6 keV

L-shell photoelectric cross-sections have been measured at 6 keV for eight elements in the range 40⩽Z⩽53. The measurements agree with theoretical calculations.     

Spin-dependent photoabsorption at theL-edges of ferromagnetic Gd and Tb metal

The spin-dependent absorption of circularly polarized x-rays is studied at theL-edges of ferromagnetic Gd and Tb metal. At theL ₁-edge a spin-dependent part of the absorption coefficient of 10^–3–10^–2 is observed. Strong resonance absorption known as white line occurs at theL ₂- andL ₃-absorption onset. Correlated with it one finds large spin-dependent absorption effects with amplitudes of a few percent. The spin-dependent absorption spectra reflect the profiles of the spin densities of the states populated in the absorption process. Thep-states show spin densities correlated with the first two flat bands above the Fermi level. The spin density of thed-like states is concentrated in the energy range of the white line. In Gd a splitting of (0.5–0.6) eV of the unoccupied 5d spin up and spin down bands is indicated for both spin-orbit partners. In Tb a large dependence of the 5d spin density on the spin-orbit configuration is observed. The experimental results on the spin densities in Gd are compared with band structure calculations for the ferromagnetic ground-state. The theoretical and experimental spin density profiles agree well for thep-states but not for thed-states. The discrepancy concerning thed-states may be attributed to core-hole polarization effects in the absorption process.     

Strong spin-dependent absorption at theL 2,-edges of 5d-impurities in iron

Large spin-dependent absorption effects have been observed with circularly polarized photons of energies between 10.8 keV and 13.8 keV at theL _2,3-edges of Os, Ir, Pt, and Au impurities (3 at.%) in iron. The largest value of the spin-dependent absorption coefficient (µ _c /µ _o +0.22) is found at the PtL ₂-edge. From the energy dependence of the spin-dependent absorption at theL ₂- andL ₃-edges the spin-density profiles of thed _3/2-andd _5/2-projected states populated in the absorption process are derived. Thed _5/2-spin densities deduced from theL ₃ spin-dependent absorption spectra agree well with spin-polarized band-structure calculations for the ferromagnetic ground state. A comparison of thed _3/2- andd _5/2-spin densities shows a strong contribution of the spin-orbit effects to the exchange splitting in Os, whereas only small spin-orbit effects are indicated for Ir, Pt and Au impurities.     

Local Moment of Ir in Fe,Co and Ni Hosts Probed by Ir L 2,3 Edge X-Ray Magnetic Circular Dichroism

The formation of an induced 5d magnetic moment on Ir in Fe₉₇Ir₃, Co₉₅Ir₅ and Ni₉₅Ir₅ alloys has been investigated by X-ray magnetic circular dichroism (XMCD) and X-ray absorption spectra (XAS) measurements at Ir L _2,3 edges. Using a sum rule which relates the integrals of these spectra with the ground state expectation value of the orbital angular momentum 〈L _Z 〉 of the probed atom, the orbital moment m _orb of Ir could be determined as −0.071(2) μ _B in an Fe host, −0.067(2) μ _B in a Co host and −0.041(1) μ _B in a Ni host. The spin magnetic moment m _spin of Ir is also found to be the maximal in Fe and the minimal in Ni. The total moment of Ir is found to be approximately 1/5 of total moment of Fe, 2/13 of the total moment of Co, and 1/4 of the total moment of Ni. This revised version was published online in September 2006 with corrections to the Cover Date.     

Covalency in the electronic structure of Fe3O4: An ultraviolet inverse photoemission investigation

The unoccupied electronic structure of an opend-shell transition metal oxide, namely Fe₃O₄, has been addressed by measuring ultraviolet angle-integrated inverse photoemission (IP) spectra acquired in the isochromat mode (hv=10.2-24 eV). Exploitation of photon energy dependence of symmetry-projected IP cross-sections and comparison with the O 1s X-ray absorption spectrum allow us to recognize a strong covalent admixture of Fe [3d; 4 (sp)]-and O (2p)-derived states in this compound.     

The origin of an elastic line in the L 3 x-ray emission spectrum of metallic manganese

A strong elastic line has been found in the L ₃ x-ray emission spectrum of metallic Mn. To unravel its physical nature, the ground-state properties of α-Mn were studied in comparison with those of 3d metals (Cr and Fe in bcc structure), as well as the properties of the L ₃ absorption final states of these three transition metals. To model the electronic structure, LSDA band-structure calculations of Cr, Mn, and Fe were carried out, and L ₃ absorption spectra of these metals were computed in the atomic approximation. A joint analysis of the properties of the ground state and of the final absorption state excited by an x-ray-produced core hole suggests that the elastic line in the α-Mn spectra should be assigned to the specific character of the absorption final-state multiplet.     

Experimental study of X-ray generation in laser-produced plasmas based onK-shell time-resolved spectroscopy

Summary Soft-X-ray generation in aluminium plasmas produced by Nd nano-second laser pulses is investigated analysing time-resolved spectra ofK-shell line emission. Time histories of line emission and electron temperature as well as the time-integrated X-ray yield were studied as a function of laser pulse duration and target position along the laser beam propagation axis. The experimental results suggest that X-ray emission is influenced by self-focusing of laser light in the plasma. Presently at Laboratoire pour l'Utilisations des Lasers Intenses, Ecole Polytechnique, 91128 Palaiseau Cedex, France.     

~(129)Xe~(q+)激发Mo表面产生的X射线谱

研究了高电荷态离子129Xeq+(q=25,26,27)入射金属Mo表面产生的特征X射线谱.实验结果表明,在束流强度小于120nA条件下,高电荷态离子129Xeq+可以激发Mo的L壳层特征X射线谱.单离子X射线相对产额可达10-8量级,特征X射线的相对产额随入射离子的动能和电荷态(势能)的增加而增加.通过Mo原子的Lα1特征X射线谱,利用Heisenberg不确定关系对Mo原子的第M能级寿命进行了估算.     

L-shell internal excitation accompanyingL-capture

TheL-shell internal excitation accompanyingL-capture has been treated relativistically by the use of hydrogenic wave functions. Numerical calculations for the nuclides³⁷Ar,⁵⁵Fe,⁷⁷Ge,¹³¹Cs,¹⁵⁷Tb,¹⁶⁵Er,¹⁷⁹Ta and¹⁹³Pt have been performed for the first-time. The present calculations show that doubleL _i-hole production probability decreases with increasing atomic number and it is almost independent of transition energy for a particular shell. Possible experiments to detect this phenomenon in atoms for whichK-K processes are energetically forbidden are discussed briefly.     

Atomic Rayleigh scattering cross-sections and the associated anomalous dispersion in the X-ray regions

Elastic scattering cross-sections for Pd, Ag, Cd, In, Sn, Sb, Pt, Au and Pb are measured at an angle of 90 in the X-ray region 5.41 keV. These energies fall between the high-energy side of the L- and M-shell absorption edges of the atoms considered. The present atomic region is significant for solid X-rays to assess the contribution of resonance and solid-state environmental effects. Also it is the anomalous scattering region for many of the atoms of the periodic table. Experimental results are compared with theoretical calculations based on form factor formalisms including the anomalous corrections and available recent S-matrix values. Based on the experimental evidence, the present results indicate the influence of solid-state environmental effects, the importance of anomalous corrections nearer to absorption edges, the correctness of revised high-energy limit values, the superiority of S-matrix predictions over form factor values on measured elastic scattering cross-sections in the X-ray regime and also show the resonance behavior around K, L and M absorption edges. Received: 27 January 1998 / Received in final form: 4 January 1999     

Diagram,valence-to-core,and hypersatellite Kβ X-ray transitions in metallic chromium

We report on measurements of the Kβ diagram, valence-to-core (VtC), and hypersatellite X-ray spectra induced in metallic Cr by photon single and double K-shell ionization. The experiment was carried out at the Stanford Synchrotron Radiation Lightsource using the seven-crystal Johann-type hard X-ray spectrometer of the beamline 6-2. For the Kβ diagram and VtC transitions, the present study confirms the line shape features observed in previous works, whereas the K^hβ hypersatellite transition was found to exhibit a complex spectral line shape and a characteristic low-energy shoulder. The energy shift of the hypersatellite relative to the parent diagram line was deduced from the measurements and compared with the result of extensive multiconfiguration Dirac–Fock (MCDF) calculations. A very good agreement between experiment and theory was found. The MCDF calculations were also used to compute the theoretical line shape of the hypersatellite. A satisfactory agreement was obtained between the overall shapes of the experimental and theoretical spectra, but deviations were observed on the low- and high-energy flanks of the hypersatellite line. The discrepancies were explained by chemical effects, which were not considered in the MCDF calculations performed for isolated atoms.     

Electronic structure and X-ray spectra of transition metal sulfides NiS,CuS, and ZnS

A numerical electronic band structure calculations for sulfides NiS, CuS, and ZnS are carried out. Using the results a detailed analysis of a valence states is performed; obtained partial densities of states are compared with X-ray SL _2,3 and $ SK_{\beta _{1,3} } $ SK_{\beta _{1,3} } -emission spectra. We showed that spectrum lineshape depends on hybridization strength between various Me(3d)-orbitals and 3p-states of sulfur. The hybridization strength and the symmetry of hybrid Me(3d)-orbitals are defined by crystal lattice structure. Finally a well splitted in energy bonding and antibonding states Me(3d)-S(3p) appear while weakly hybridized Me(3d)-states mainly contribute to spectra intensity in the energy between them. A good agreement between the theoretical and the experimental spectra of valence band for considered sulfides is obtained.     

Development of an experimental database of EUV spectra from highly charged ions of medium to high Z elements in the Large Helical Device plasmas

We are developing an experimental database of extreme ultraviolet spectra from highly charged ions using optically thin high-temperature plasmas produced in the Large Helical Device. Spectra from a variety of elements with atomic numbers ranging from 36 to 83 have been systematically recorded in the range of 1–20 nm by a grazing incidence spectrometer. For higher Z elements from tin onward, discrete or quasicontinuum spectral features from n=4 (N-shell) ions are mainly observed depending upon the plasma temperature, which leads to some new experimental identifications of spectral lines. On the other hand, major emitters are n=3 (M-shell) ions for medium Z elements from krypton to ruthenium. The calculated wavelengths for Δn≠0 transitions agree well with the measurements and the calculated wavelengths are systematically shifted to shorter wavelengths for Δn=0 transitions associated with inner-subshell excited configurations.     

Role of cross-shell excitations in the reaction 54Fe($$ \vec d $$, p)55Fe

The reaction ⁵⁴Fe(, p)⁵⁵Fe was studied at the Munich Q3D spectrograph with a 14MeV polarized deuteron beam. Excitation energies, angular distributions and analyzing powers were measured for 39 states up to 4.5MeV excitation energy. Spin and parity assignments were made and spectroscopic factors deduced by comparison to DWBA calculations. The results were compared to predictions by large-scale shell model calculations in the full pf -shell and it was found that reasonable agreement for energies and spectroscopic factors below 2.5MeV could only be obtained if up to 6 particles were allowed to be excited from the f _7/2 orbital into p _3/2 , f _5/2 , and p _1/2 orbitals across the N = 28 gap. For levels above 2.5MeV the experimental strength distribution was found to be significantly more fragmented than predicted by the shell model calculations.     

NIR-VIS reflectivity spectra of some transition metal thiophosphates

Summary Room temperature optical-reflectivity measurements on some transition metal thiophosphates were carried out in the near infrared and visible regions. The resulting spectra, interpreted on the basis of the ?transition metal weakly interacting? model, agree well with earlier optical transmission measurements. Below the fundamental absorption edge, the observed features have been assigned to 3d–3d transitions occurring on the transition metal ion, while those observed at photon energies greater than the absorption threshold have been attributed to transitions from the valence bands to discrete 3d orbital levels or to the conduction bands. A more detailed information on the metal ion 3d levels energy distribution with respect to the valence band states belonging to the (P₂S₆)^4- cluster and a more precise determination of the MPS₃ absorption edge energy position have been obtained.