X ray spectra of X Per. [oso-8 observations

NASA Technical Reports Server (NTRS)

Becker, R. H.; Boldt, E. A.; Holt, S. S.; Pravdo, S. H.; Robinson-Saba, J.; Serlemitsos, P. J.; Swank, J. H.

1978-01-01

The cosmic X-ray spectroscopy experiment on OSO-8 observed X Per for twenty days during two observations in Feb. 1976 and Feb. 1977. The spectrum of X Per varies in phase with its 13.9 min period, hardening significantly at X-ray minimum. Unlike other X-ray binary pulsar spectra, X Per's spectra do not exhibit iron line emission or strong absorption features. The data show no evidence for a 22 hour periodicity in the X-ray intensity of X Per. These results indicate that the X-ray emission from X Per may be originating from a neutron star in a low density region far from the optically identified Be star.

X-ray photoelectron spectroscopy study of chemically-etched Nd-Ce-Cu-O surfaces

NASA Technical Reports Server (NTRS)

Vasquez, R. P.; Gupta, A.; Kussmaul, A.

1991-01-01

Acetic acid, Br2, and HCl solutions are investigated for removing insulating species from Nd(1.85)Ce(0.15)CuO(4-delta) (NCCO) thin film surfaces. X-ray photoelectron spectroscopy (XPS) shows that the HCl etch is most effective, yielding O 1s spectra comparable to those obtained from samples cleaned in vacuum and a clear Fermi edge in the valence band region. Reduction and oxidation reversibly induces and eliminates, respectively, Fermi level states for undoped samples, but has no clearly observable effect on the XPS spectra for doped samples. Reactivity to air is much less for NCCO compared to hole superconductors, which is attributed to the lack of reactive alkaline earth elements in NCCO.

X-Ray photoelectron Spectroscopy Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Engelhard, Mark H.; Droubay, Timothy C.; Du, Yingge

2017-01-03

With capability for obtaining quantitative elemental composition, chemical and electronic state, and overlayer thickness information from the top ~10 nm of a sample surface, X-ray Photoelectron Spectroscopy (XPS) or Electron Spectroscopy for Chemical Analysis (ESCA) is a versatile and widely used technique for analyzing surfaces. The technique is applied to a host of materials, from insulators to conductors in virtually every scientific field and sub-discipline. More recently, XPS has been extended under in-situ and operando conditions. Following a brief introduction to XPS principles and instrument components, this article exemplifies widely ranging XPS applications in material and life sciences.

Effects of the carrier concentration on polarity determination in Ga-doped ZnO films by hard x-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Song, Huaping; Makino, Hisao; Kobata, Masaaki; Nomoto, Junichi; Kobayashi, Keisuke; Yamamoto, Tetsuya

2018-03-01

Core level (CL) and valence band (VB) spectra of heavily Ga-doped ZnO (GZO) films with carrier concentrations (Ne) ranging from 1.8 × 1020 to 1.0 × 1021 cm-3 were measured by high-resolution Al Kα (hν = 1486.6 eV) x-ray photoelectron spectroscopy (XPS) and Cr Kα (hν = 5414.7 eV) hard x-ray photoelectron spectroscopy (HAXPES). The CL spectra of the GZO films measured by XPS had little dependence on Ne. In contrast, clear differences in asymmetric broadening were observed in the HAXPES spectra owing to the large probing depth. The asymmetry in the Zn 2p3/2 and O 1s HAXPES spectra is mainly attributed to the energy loss of the conduction electron plasmon caused by the high Ne of the GZO films. Similar asymmetry was also observed in the VB spectra of these GZO films. It was found that such asymmetry plays a crucial role in the determination of crystal polarity. With increasing Ne, the intensity of the sub-peak at a binding energy Eb of about 5 eV in the VB spectrum decreased and the sub-peak became indistinguishable. We clarified the limitation of the criterion using the sub-peak and proposed an alternative method for polarity determination.

Novel applications of X-ray photoelectron spectroscopy on unsupported nanoparticles

NASA Astrophysics Data System (ADS)

Kostko, Oleg; Xu, Bo; Jacobs, Michael I.; Ahmed, Musahid

X-ray photoelectron spectroscopy (XPS) is a powerful technique for chemical analysis of surfaces. We will present novel results of XPS on unsupported, gas-phase nanoparticles using a velocity-map imaging (VMI) spectrometer. This technique allows for probes of both the surfaces of nanoparticles via XPS as well as their interiors via near edge X-ray absorption fine structure (NEXAFS) spectroscopy. A recent application of this technique has confirmed that arginine's guanidinium group exists in a protonated state even in strongly basic solution. Moreover, the core-level photoelectron spectroscopy can provide information on the effective attenuation length (EAL) of low kinetic energy electrons. This contradictory value is important for determining the probing depth of XPS and in photolithography. A new method for determining EALs will be presented.

Effect of X-ray flux on polytetrafluoroethylene in X-ray photoelectron spectroscopy

NASA Technical Reports Server (NTRS)

Wheeler, D. R.; Pepper, S. V.

1982-01-01

The effect of the X-ray flux in X-ray photoelectron spectroscopy (STAT) on the constitution of the polytetrafluoroethylene (PTFE) surface has been examined. The radiation dose rate for our specimen was about 10 to the 7th rad/s. The structure, magnitude and binding energy of the C(1s) and F(1s) features of the XPS spectrum and the mass spectrum of gaseous species evolved during irradiation are observed. The strong time dependence of these signals over a period of several hours indicated that the surface constitution of PTFE is greatly affected by this level of radiation dose. The results are consistent with the development of a heavily cross-linked or branched structure in the PTFE surface region and the evolution of short chain fragments into the gas phase.

Ethene adsorption and dehydrogenation on clean and oxygen precovered Ni(111) studied by high resolution x-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Lorenz, M. P. A.; Fuhrmann, T.; Streber, R.; Bayer, A.; Bebensee, F.; Gotterbarm, K.; Kinne, M.; Tränkenschuh, B.; Zhu, J. F.; Papp, C.; Denecke, R.; Steinrück, H.-P.

2010-07-01

The adsorption and thermal evolution of ethene (ethylene) on clean and oxygen precovered Ni(111) was investigated with high resolution x-ray photoelectron spectroscopy using synchrotron radiation at BESSY II. The high resolution spectra allow to unequivocally identify the local environment of individual carbon atoms. Upon adsorption at 110 K, ethene adsorbs in a geometry, where the two carbon atoms within the intact ethene molecule occupy nonequivalent sites, most likely hollow and on top; this new result unambiguously solves an old puzzle concerning the adsorption geometry of ethene on Ni(111). On the oxygen precovered surface a different adsorption geometry is found with both carbon atoms occupying equivalent hollow sites. Upon heating ethene on the clean surface, we can confirm the dehydrogenation to ethine (acetylene), which adsorbs in a geometry, where both carbon atoms occupy equivalent sites. On the oxygen precovered surface dehydrogenation of ethene is completely suppressed. For the identification of the adsorbed species and the quantitative analysis the vibrational fine structure of the x-ray photoelectron spectra was analyzed in detail.

Rebonding of Se to As and Ge in Ge33As12Se55 films upon thermal annealing: Evidence from x-ray photoelectron spectra investigations

NASA Astrophysics Data System (ADS)

Wang, R. P.; Choi, D. Y.; Rode, A. V.; Madden, S. J.; Luther-Davies, B.

2007-06-01

We have measured and analyzed x-ray photoelectron spectra (XPS) of as-grown and annealed Ge33As12Se55 films compared with bulk material. We found that the as-grown film contains a large number of separated Se clusters which can coalesce with As and Ge after annealing at high temperatures. In addition, both the Ge and As 3d spectra show the presence of oxides. While the Ge oxidation increases with an increasing annealing temperature, As oxidation is almost unaffected by annealing. The difference could be due to their different electro-negativities. Our results suggest that, while thermal annealing is effective to move the film toward the bond structure of bulk glass, the simultaneous surface oxidation must be suppressed in order to achieve high quality films.

Probing molecular orientations in thin films by x-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Li, Y.; Li, P.; Lu, Z.-H.

2018-03-01

A great number of functional organic molecules in active thin-film layers of optoelectronic devices have highly asymmetric structures, such as plate-like, rod-like, etc. This makes molecular orientation an important aspect in thin-films as it can significantly affect both the optical and electrical performance of optoelectronic devices. With a combination of in-situ ultra violet photoelectron spectroscopy (UPS) and x-ray photoelectron spectroscopy (XPS) investigations for organic molecules having a broad range of structural properties, we discovered a rigid connection of core levels and frontier highest occupied molecular orbital levels at organic interfaces. This finding opens up opportunities of using X-ray photoemission spectroscopy as an alternative tool to UPS for providing an easy and unambiguous data interpretation in probing molecular orientations.

Accurate quasiparticle calculation of x-ray photoelectron spectra of solids

NASA Astrophysics Data System (ADS)

Aoki, Tsubasa; Ohno, Kaoru

2018-05-01

It has been highly desired to provide an accurate and reliable method to calculate core electron binding energies (CEBEs) of crystals and to understand the final state screening effect on a core hole in high resolution x-ray photoelectron spectroscopy (XPS), because the ΔSCF method cannot be simply used for bulk systems. We propose to use the quasiparticle calculation based on many-body perturbation theory for this problem. In this study, CEBEs of band-gapped crystals, silicon, diamond, β-SiC, BN, and AlP, are investigated by means of the GW approximation (GWA) using the full ω integration and compared with the preexisting XPS data. The screening effect on a deep core hole is also investigated in detail by evaluating the relaxation energy (RE) from the core and valence contributions separately. Calculated results show that not only the valence electrons but also the core electrons have an important contribution to the RE, and the GWA have a tendency to underestimate CEBEs due to the excess RE. This underestimation can be improved by introducing the self-screening correction to the GWA. The resulting C1s, B1s, N1s, Si2p, and Al2p CEBEs are in excellent agreement with the experiments within 1 eV absolute error range. The present self-screening corrected GW approach has the capability to achieve the highly accurate prediction of CEBEs without any empirical parameter for band-gapped crystals, and provide a more reliable theoretical approach than the conventional ΔSCF-DFT method.

Accurate quasiparticle calculation of x-ray photoelectron spectra of solids.

PubMed

Aoki, Tsubasa; Ohno, Kaoru

2018-05-31

It has been highly desired to provide an accurate and reliable method to calculate core electron binding energies (CEBEs) of crystals and to understand the final state screening effect on a core hole in high resolution x-ray photoelectron spectroscopy (XPS), because the ΔSCF method cannot be simply used for bulk systems. We propose to use the quasiparticle calculation based on many-body perturbation theory for this problem. In this study, CEBEs of band-gapped crystals, silicon, diamond, β-SiC, BN, and AlP, are investigated by means of the GW approximation (GWA) using the full ω integration and compared with the preexisting XPS data. The screening effect on a deep core hole is also investigated in detail by evaluating the relaxation energy (RE) from the core and valence contributions separately. Calculated results show that not only the valence electrons but also the core electrons have an important contribution to the RE, and the GWA have a tendency to underestimate CEBEs due to the excess RE. This underestimation can be improved by introducing the self-screening correction to the GWA. The resulting C1s, B1s, N1s, Si2p, and Al2p CEBEs are in excellent agreement with the experiments within 1 eV absolute error range. The present self-screening corrected GW approach has the capability to achieve the highly accurate prediction of CEBEs without any empirical parameter for band-gapped crystals, and provide a more reliable theoretical approach than the conventional ΔSCF-DFT method.

Determination of the radiation resistance order of high explosives by the two dimensional correlation X-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Sui, Heliang; Hao, Xiaofei; Luo, Yiwei; Xu, Jinjiang; Zhong, Fachun; Xu, Ruijuan

2017-09-01

Two-dimensional X-ray photoelectron spectroscopy (2DXPS) was employed to obtain the radiation resistance order of high explosives. Mixed hexanitrohexaazaisowurtzitane (CL-20) and 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) were irradiated by X-ray radiation. The time-dependent N1s XPS spectra were collected. 2DXPS was used to analyze the variation of the binding energy peaks. The main degradation time of TATB was longer than that of CL-20. CL-20 changes occurred prior to that of TATB during radiation. These changes suggest that TATB exhibited higher radiation resistance property than CL-20. 2DXPS is a very useful method to distinguish the radiation resistance orders of materials.

Spectromicroscope for the PHotoelectron Imaging of Nanostructures with X-rays (SPHINX): performance in biology, medicine and geology.

PubMed

Frazer, Bradley H; Girasole, Marco; Wiese, Lisa M; Franz, Torsten; De Stasio, Gelsomina

2004-05-01

Several X-ray PhotoElectron Emission spectroMicroscopes (X-PEEMs) exist around the world at this time. We present recent performance and resolution tests of one of them, the Spectromicroscope for PHotoelectron Imaging of Nanostructures with X-rays (SPHINX) X-PEEM, installed at the University of Wisconsin Synchrotron Radiation Center. With this state-of-the-art instrument we demonstrate chemical analysis capabilities on conducting and insulating specimens of diverse interests, and an unprecedented lateral resolution of 10 nm with monochromatic X-rays and 7.2 nm with ultraviolet illumination.

Oxidation and deprotonation of synthetic Fe{sup II}-Fe{sup III} (oxy)hydroxycarbonate Green Rust: An X-ray photoelectron study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mullet, M.; Guillemin, Y.; Ruby, C.

X-ray photoelectron spectroscopy (XPS) was used to investigate chemical bonding and distribution of iron and oxygen species at the surface of Green Rusts (GRs). GRs with variable composition, i.e. Fe{sup II}{sub 6(1-x)}Fe{sup III}{sub 6x}O{sub 12}H{sub 2(7-3x)} CO{sub 3}.3H{sub 2}O where the Fe{sup III} molar fraction of the positively charged hydroxide sheets, x=[Fe(III)]/[Fe(total)] belongs to [1/3, 1], were synthesised under an inert atmosphere. The broadened Fe(2p{sub 3/2}) spectra were fitted using Gupta and Sen multiplets peaks and additional satellite and surface features. The [Fe(III)]/[Fe(total)] surface atomic ratios closely agree with the x ratios expected from the bulk composition, which gives amore » high degree of confidence on the validity of the proposed fitting procedure. The valence band spectra are also reported and show dependencies on iron speciation. The O(1s) spectra revealed the presence of O{sup 2-}, OH{sup -} species and adsorbed water. The hydroxyl component decreases with increasing x values, i.e. with the amount of ferric iron, while the oxide component increases. This study provides direct spectroscopic evidence of the deprotonation of hydroxyl groups that occurs simultaneously with the oxidation of ferrous iron within the GR structure. - Graphical abstract: X-ray photoelectron spectroscopy (XPS) is used to investigate chemical bonding and distribution of iron and oxygen species at the surface of Green Rust (GR) compounds. First spectroscopic evidence of the deprotonation of hydroxyls groups occurring simultaneously to the oxidation of Fe(II) into Fe(III) species is provided.« less

The diversity of soft X-ray spectra in quasars

NASA Technical Reports Server (NTRS)

Elvis, M.; Wilkes, B. J.; Tananbaum, H.

1985-01-01

Soft X-ray spectra for three quasars obtained with the Einstein Imaging Proportional Counter covering the 0.1-4.0 keV band are reported. Power-law fits to these spectra have best-fit energy indices of 1.2 +0.6 or -0.2, for the quasar NAB 0205 + 024, 0.6 +0.3 or -0.2 for the quasar B2 1028 + 313, and 2.2 + or -0.4 for the quasar PG 1211 + 143. None of the quasars shows any evidence for a column density of cold matter in excess of the galactic values. The derived spectra demonstrate that there is no single universal power law slope for quasar X-ray spectra. The implications of these results for the X-ray background, X-ray continuum emission mechanisms, and the production of the optical/UV emission lines are briefly discussed.

Electronic structure of β-Ga2O3 single crystals investigated by hard X-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Li, Guo-Ling; Zhang, Fabi; Cui, Yi-Tao; Oji, Hiroshi; Son, Jin-Young; Guo, Qixin

2015-07-01

By combination of hard X-ray photoelectron spectroscopy (HAXPES) and first-principles band structure calculations, the electronic states of β-Ga2O3 were investigated to deepen the understanding of bulk information for this compound. The valence band spectra of HAXPES presented the main contribution from Ga 4sp, which are well represented by photoionization cross section weighted partial density of states. The experimental data complemented with the theoretical study yield a realistic picture of the electronic structure for β-Ga2O3.

Band alignment of SiO2/(AlxGa1-x)2O3 (0 ≤ x ≤ 0.49) determined by X-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Feng, Zhaoqing; Feng, Qian; Zhang, Jincheng; Li, Xiang; Li, Fuguo; Huang, Lu; Chen, Hong-Yan; Lu, Hong-Liang; Hao, Yue

2018-03-01

In this work, we report the investigation of the band alignment of SiO2/(AlxGa1-x)2O3 (0 ≤ x ≤ 0.49) utilizing the high resolution X-ray photoelectron spectroscopy (XPS) measurements. The single crystallinity and orientation of β-(AlxGa1-x)2O3 films grown on sapphire by pulsed laser deposition were studied with the high resolution X-ray diffraction. The Ga 2p3/2 and Si 2p core-level spectra as well as valence band spectra were used in the analysis of band alignment. As the mole fraction x of Al increases from 0 to 0.49, the bandgap and conduction band offset values of SiO2/(AlxGa1-x)2O3 increases from 4.9 to 5.6 eV and from 1.5 to 2.1 eV, respectively, while that of valence band offset decreases from 2.2 to 0.9 eV. From the results obtained, the energy band diagram of the studied SiO2/(AlxGa1-x)2O3 (0 ≤ x ≤ 0.49) interfaces is found to be of type I. Energy band lineups of SiO2/(AlxGa1-x)2O3 were thus determined which can be used as for Ga2O3 based power device technology.

A new endstation at the Swiss Light Source for ultraviolet photoelectron spectroscopy, X-ray photoelectron spectroscopy, and X-ray absorption spectroscopy measurements of liquid solutions.

PubMed

Brown, Matthew A; Redondo, Amaia Beloqui; Jordan, Inga; Duyckaerts, Nicolas; Lee, Ming-Tao; Ammann, Markus; Nolting, Frithjof; Kleibert, Armin; Huthwelker, Thomas; Müächler, Jean-Pierre; Birrer, Mario; Honegger, Juri; Wetter, Reto; Wörner, Hans Jakob; van Bokhoven, Jeroen A

2013-07-01

A new liquid microjet endstation designed for ultraviolet (UPS) and X-ray (XPS) photoelectron, and partial electron yield X-ray absorption (XAS) spectroscopies at the Swiss Light Source is presented. The new endstation, which is based on a Scienta HiPP-2 R4000 electron spectrometer, is the first liquid microjet endstation capable of operating in vacuum and in ambient pressures up to the equilibrium vapor pressure of liquid water at room temperature. In addition, the Scienta HiPP-2 R4000 energy analyzer of this new endstation allows for XPS measurements up to 7000 eV electron kinetic energy that will enable electronic structure measurements of bulk solutions and buried interfaces from liquid microjet samples. The endstation is designed to operate at the soft X-ray SIM beamline and at the tender X-ray Phoenix beamline. The endstation can also be operated using a Scienta 5 K ultraviolet helium lamp for dedicated UPS measurements at the vapor-liquid interface using either He I or He II α lines. The design concept, first results from UPS, soft X-ray XPS, and partial electron yield XAS measurements, and an outlook to the potential of this endstation are presented.

X-ray spectra of supernova remnants

NASA Technical Reports Server (NTRS)

Szymkowiak, A. E.

1985-01-01

X-ray spectra were obtained from fields in three supernova remnants with the solid state spectrometer of the HEAO 2 satellite. These spectra, which contain lines from K-shell transitions of several abundant elements with atomic numbers between 10 and 22, were compared with various models, including some of spectra that would be produced by adiabatic phase remnants when the time-dependence of the ionization is considered.

X-ray Photoelectron Spectroscopy of High-κ Dielectrics

NASA Astrophysics Data System (ADS)

Mathew, A.; Demirkan, K.; Wang, C.-G.; Wilk, G. D.; Watson, D. G.; Opila, R. L.

2005-09-01

Photoelectron spectroscopy is a powerful technique for the analysis of gate dielectrics because it can determine the elemental composition, the chemical states, and the compositional depth profiles non-destructively. The sampling depth, determined by the escape depth of the photoelectrons, is comparable to the thickness of current gate oxides. A maximum entropy algorithm was used to convert photoelectron collection angle dependence of the spectra to compositional depth profiles. A nitrided hafnium silicate film is used to demonstrate the utility of the technique. The algorithm balances deviations from a simple assumed depth profile against a calculated depth profile that best fits the angular dependence of the photoelectron spectra. A flow chart of the program is included in this paper. The development of the profile is also shown as the program is iterated. Limitations of the technique include the electron escape depths and elemental sensitivity factors used to calculate the profile. The technique is also limited to profiles that extend to the depth of approximately twice the escape depth. These limitations restrict conclusions to comparison among a family of similar samples. Absolute conclusions about depths and concentrations must be used cautiously. Current work to improve the algorithm is also described.

An X-ray photoelectron spectroscopy study of the thermal nitridation of SiO2/Si

NASA Technical Reports Server (NTRS)

Vasquez, R. P.; Madhukar, A.; Grunthaner, F. J.; Naiman, M. L.

1986-01-01

The dependence of the nitrogen distribution in thermally nitrided SiO2 films on the nitridation time and temperature has been studied by means of X-ray photoelectron spectroscopy (XPS). The photoelectron peak intensities were measured by fitting Voigt profiles to the XPS spectra and were used to calculate the film composition as a function of film depth, applying an analytical method described in detail. The times of appearance of the maxima in interfacial nitrogen concentration are shown for 800, 1000, and 1150 C, and the data are related to a kinetic model of Vasquez and Madhukar (1985), which considers the effect of interfacial strain on the nitridation kinetics. In addition, the intensity of a fluorine marker (from the HF used in the etching step) was found to correlate with the nitrogen concentration. It is postulated that the F bonds preferentially to defects. This hypothesis and the measured F intensities are consistent with the proposed strain-dependent energy of defect formation.

X-ray Photoelectron Spectroscopy study of CaV1-xMoxO3-δ

NASA Astrophysics Data System (ADS)

Belyakov, S. A.; Kuznetsov, M. V.; Shkerin, S. N.

2018-06-01

An investigation was carried out on perovskite-based derivatives of CaV1-xMoxO3-δ using X-ray Photoelectron Spectroscopy (XPS). According to the XRD pattern, the area of homogeneity covers the region from x = 0 to x = 0.6. Wide XPS-peaks of Ca, V, Mo and O are observed, signalling that elements are presented in multiple states. A model for explaining the large chemical shifts of XPS peaks due to different charging effects on different parts of the sample surface is proposed.

Core-level spectra and binding energies of transition metal nitrides by non-destructive x-ray photoelectron spectroscopy through capping layers

NASA Astrophysics Data System (ADS)

Greczynski, G.; Primetzhofer, D.; Lu, J.; Hultman, L.

2017-02-01

We present the first measurements of x-ray photoelectron spectroscopy (XPS) core level binding energies (BE:s) for the widely-applicable group IVb-VIb polycrystalline transition metal nitrides (TMN's) TiN, VN, CrN, ZrN, NbN, MoN, HfN, TaN, and WN as well as AlN and SiN, which are common components in the TMN-based alloy systems. Nitride thin film samples were grown at 400 °C by reactive dc magnetron sputtering from elemental targets in Ar/N2 atmosphere. For XPS measurements, layers are either (i) Ar+ ion-etched to remove surface oxides resulting from the air exposure during sample transfer from the growth chamber into the XPS system, or (ii) in situ capped with a few nm thick Cr or W overlayers in the deposition system prior to air-exposure and loading into the XPS instrument. Film elemental composition and phase content is thoroughly characterized with time-of-flight elastic recoil detection analysis (ToF-E ERDA), Rutherford backscattering spectrometry (RBS), and x-ray diffraction. High energy resolution core level XPS spectra acquired with monochromatic Al Kα radiation on the ISO-calibrated instrument reveal that even mild etching conditions result in the formation of a nitrogen-deficient surface layer that substantially affects the extracted binding energy values. These spectra-modifying effects of Ar+ ion bombardment increase with increasing the metal atom mass due to an increasing nitrogen-to-metal sputter yield ratio. The superior quality of the XPS spectra obtained in a non-destructive way from capped TMN films is evident from that numerous metal peaks, including Ti 2p, V 2p, Zr 3d, and Hf 4f, exhibit pronounced satellite features, in agreement with previously published spectra from layers grown and analyzed in situ. In addition, the N/metal concentration ratios are found to be 25-90% higher than those obtained from the corresponding ion-etched surfaces, and in most cases agree very well with the RBS and ToF-E ERDA values. The N 1 s BE:s extracted from

Hard X-ray photoelectron spectroscopy of Li{sub x}Ni{sub 1−x}O epitaxial thin films with a high lithium content

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumara, L. S. R., E-mail: KUMARA.Rosantha@nims.go.jp; Yang, Anli; Sakata, Osami, E-mail: SAKATA.Osami@nims.go.jp

2014-07-28

The core-level and valence-band electronic structures of Li{sub x}Ni{sub 1−x}O epitaxial thin films with x = 0, 0.27, and 0.48 were studied by hard X-ray photoelectron spectroscopy. A double peak structure, consisting of a main peak and a shoulder peak, and a satellite structure were observed in the Ni 2p{sub 3/2} core-level spectra. The intensity ratio of the shoulder to main peak in this double peak structure increased with increasing lithium content in Li{sub x}Ni{sub 1−x}O. This lithium doping dependence of the Ni 2p{sub 3/2} core-level spectra was investigated using an extended cluster model, which included the Zhang–Rice (ZR) doubletmore » bound states arising from a competition between O 2p – Ni 3d hybridization and the Ni on-site Coulomb interaction. The results indicated that the change in the intensity ratio in the main peak is because of a reduction in the ZR doublet bound states from lithium substitutions. This strongly suggests that holes compensating Li doping in Li{sub x}Ni{sub 1−x}O are of primarily ZR character.« less

Compton spectra of atoms at high x-ray intensity

NASA Astrophysics Data System (ADS)

Son, Sang-Kil; Geffert, Otfried; Santra, Robin

2017-03-01

Compton scattering is the nonresonant inelastic scattering of an x-ray photon by an electron and has been used to probe the electron momentum distribution in gas-phase and condensed-matter samples. In the low x-ray intensity regime, Compton scattering from atoms dominantly comes from bound electrons in neutral atoms, neglecting contributions from bound electrons in ions and free (ionized) electrons. In contrast, in the high x-ray intensity regime, the sample experiences severe ionization via x-ray multiphoton multiple ionization dynamics. Thus, it becomes necessary to take into account all the contributions to the Compton scattering signal when atoms are exposed to high-intensity x-ray pulses provided by x-ray free-electron lasers (XFELs). In this paper, we investigate the Compton spectra of atoms at high x-ray intensity, using an extension of the integrated x-ray atomic physics toolkit, xatom. As the x-ray fluence increases, there is a significant contribution from ionized electrons to the Compton spectra, which gives rise to strong deviations from the Compton spectra of neutral atoms. The present study provides not only understanding of the fundamental XFEL-matter interaction but also crucial information for single-particle imaging experiments, where Compton scattering is no longer negligible. , which features invited work from the best early-career researchers working within the scope of J. Phys. B. This project is part of the Journal of Physics series’ 50th anniversary celebrations in 2017. Sang-Kil Son was selected by the Editorial Board of J. Phys. B as an Emerging Leader.

Distinguishability of N Composition Profiles In SiON Films On Si By Angle-Resolved X-ray Photoelectron Spectroscopy

NASA Astrophysics Data System (ADS)

Powell, C. J.; Werner, W. S. M.; Smekal, W.

2007-09-01

We report on the use of the NIST Database for the Simulation of Electron Spectra for Surface Analysis (SESSA) to determine N 1s, O 1s, and Si 2p3/2 photoelectron intensities for a 25 Å SiON film on a Si substrate with different distributions of N in the film. These simulations were made to assess the distinguishability of angle-resolved x-ray photoelectron spectroscopy (ARXPS) signals for each N distribution. Our approach differs from conventional simulations of ARXPS data in that we do not neglect elastic scattering of the photoelectrons and the finite solid angle of the analyzer. Appreciable dispersion of the photoelectron intensities was found only for the N 1s intensities at an emission angle of 75° (with respect to the surface normal). Conventional analyses of ARXPS data that include such large emission angles are unlikely to be valid due to angle-dependent changes of the attenuation length. We demonstrate the magnitude of elastic-scattering and analyzer solid-angle effects on the calculated angular distributions.

Electron spectra of xenon clusters irradiated with a laser-driven plasma soft-x-ray laser pulse

DOE Office of Scientific and Technical Information (OSTI.GOV)

Namba, S.; Takiyama, K.; Hasegawa, N.

Xenon clusters were irradiated with plasma soft-x-ray laser pulses (having a wavelength of 13.9 nm, time duration of 7 ps, and intensities of up to 10 GW/cm{sup 2}). The laser photon energy was high enough to photoionize 4d core electrons. The cross section is large due to a giant resonance. The interaction was investigated by measuring the electron energy spectra. The photoelectron spectra for small clusters indicate that the spectral width due to the 4d hole significantly broadens with increasing cluster size. For larger clusters, the electron energy spectra evolve into a Maxwell-Boltzmann distribution, as a strongly coupled cluster nanoplasmamore » is generated.« less

X-ray Photoelectron Spectroscopy Study of Argon-Plasma-Treated Fluoropolymers

NASA Technical Reports Server (NTRS)

Golub, Morton A.; Lopata, Eugene S.; Finney, Lorie S.

1994-01-01

Films of poly(tetrafluoroethylene) (PTFE) and of a tetrafluoroethylene-perfluoroalkyl vinyl ether (approximately 49:1) copolymer (PFA) were exposed to a radio-frequency argon plasma and then examined by X-ray photoelectron spectroscopy (XPS). The use of fluoropolymer films nearly free of surface hydrocarbon contamination as well as the use of a monochromatized X-ray source for XPS removed two factors contributing to conflicting reports on the effect of exposure time on the fluorine-to-carbon (F/C) and oxygen-to-carbon (O/C) ratios for several Ar-plasma-treated fluoropolymers. Contrary to literature indications, a common pattern was found for PTFE and PFA: a moderate decrease in F/C ratio (from 1.99 to 1.40, and from 1.97 to 1.57, respectively), together with a moderate increase in O/C ratio (from negligible to about 0.10, and from 0.012 to about O.10, respectively) at very short exposures, after which the F/C ratios remained essentially constant on prolonged exposures, while the O/C ratios for PTFE and PFA leveled off at 0.11 and 0.15, respectively. The XPS C(sub 1s), spectra for these polymers exposed to the Ar plasma for 20 min were similar and presented, besides a prominent peak at 292.0 eV (CF2,) and a minor peak at 294.0 or 294.1 eV (CF3), a composite band of four curve-resolved peaks (approximately 285-290 eV) representing various CH, CC, CO, CN, and CF functionalities.

X ray photoelectron spectroscopy (XPS) analysis of Photosensitive ZrO2 array

NASA Astrophysics Data System (ADS)

Li, Y.; Zhao, G.; Zhu, R.; Kou, Z.

2018-03-01

Based on organic zirconium source as the starting material, by adding chemical modifiers which are made up with photosensitive ZrO2 sol. A uniformed ZrO2 array dot was fabricated with a mean diameter of around 800 nm. By using UV-vis spectra and X-ray photoelectron spectroscopy analysis method, studies the photosensitive ZrO2 gel film of photochemical reaction process and the photosensitive mechanism, to determine the zirconium atom centered chelate structure, reaction formed by metal chelate Zr atom for the center, and to establish the molecular model of the chelate. And studied the ultraviolet light in the process of the variation of the XPS spectra, Zr3d5/2 to 184.9 eV corresponding to the binding energy of the as the combination of state peak gradually reduce; By combining with the status of Zr-O peak gradually increase; The strength of the peak is gradually decline. This suggests that in the process of ultraviolet light photo chemical reaction happened. This study is of great significance to the micro fabrication of ZrO2 array not only to the memory devices but also to the optical devices.

Inter-diffusion of copper and hafnium as studied by x-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Pearson, Justin; Chourasia, A. R.

The Cu/Hf interface has been characterized by x-ray photoelectron spectroscopy. Thin films (thicknesses ranging from 100 nm to 150 nm) of hafnium were deposited on a silicon substrate. About 80 nm of copper was then deposited on such samples. The e-beam method was used for the deposition. The samples were annealed for 30 min at temperatures of 100, 200, 300, 400, and 500°C. The inter-diffusion of copper and hafnium was investigated by sequential sputter depth profiling and x-ray photoelectron spectroscopy. The interdiffusion in each case was analyzed by the Matano-Boltzmann's procedure using the Fick's second law. The interdiffusion coefficients and the width of the interface as determined from the data have been correlated with the annealing temperature. Supported by Organized Research, TAMU-Commerce.

Examination of U valence states in the brannerite structure by near-infrared diffuse reflectance and X-ray photoelectron spectroscopies

NASA Astrophysics Data System (ADS)

Finnie, Kim S.; Zhang, Zhaoming; Vance, Eric R.; Carter, Melody L.

2003-04-01

The valence state of uranium doped into a f 0 thorium analog of brannerite (i.e., thorutite) has been examined using near-infrared (NIR) diffuse reflectance (DRS) and X-ray photoelectron (XPS) spectroscopies. NIR transitions of U 4+, which are not observed in spectra of brannerite, have been detected in the samples of U xTh 1- xTi 2O 6, and we propose that strong specular reflectance is responsible for the lack of U 4+ features in UTi 2O 6. Characteristic U 5+ bands have been identified in samples in which sufficient Ca 2+ has been added to nominally effect complete oxidation to U 5+. XPS results support the assignments of U 4+ and U 5+ by DRS. The presence of residual U 4+ bands in the spectra of the Ca-doped samples is consistent with segregation of Ca 2+ to the grain boundaries during high temperature sintering.

Probing buried layers by photoelectron spectromicroscopy with hard x-ray excitation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wiemann, C.; Patt, M.; Cramm, S.

We report about a proof-of-principle experiment which explores the perspectives of performing hard x-ray photoemission spectromicroscopy with high lateral resolution. Our results obtained with an energy-filtered photoemission microscope at the PETRA III storage ring facility using hard x-ray excitation up to 6.5 keV photon energy demonstrate that it is possible to obtain selected-area x-ray photoemission spectra from regions less than 500 nm in diameter.

Soft x-ray absorption spectra of ilmenite family.

PubMed

Agui, A; Mizumaki, M; Saitoh, Y; Matsushita, T; Nakatani, T; Fukaya, A; Torikai, E

2001-03-01

We have carried out soft x-ray absorption spectroscopy to study the electronic structure of ilmenite family, such as MnTiO3, FeTiO3, and CoTiO3 at the soft x-ray beamline, BL23SU, at the SPring-8. The Ti and M L2,3 absorption spectra of MTiO3 (M=Mn, Fe, and Co) show spectra of Ti4+ and M2+ electron configurations, respectively. Except the Fe L2,3 spectrum, those spectra were understood within the O(h) symmetry around the transition metal ions. The Fe L3-edge spectrum clearly shows a doublet peak at the L3 edge, which is attributed to Fe2+ state, moreover the very high-resolution the L-edge spectra of transition metals show fine structures. The spectra of those ilmenites are compared.

Sample-morphology effects on x-ray photoelectron peak intensities. III. Simulated spectra of model core–shell nanoparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Powell, Cedric J., E-mail: cedric.powell@nist.gov; Chudzicki, Maksymilian; Werner, Wolfgang S. M.

2015-09-15

The National Institute of Standards and Technology database for the simulation of electron spectra for surface analysis has been used to simulate Cu 2p photoelectron spectra for four types of spherical copper–gold nanoparticles (NPs). These simulations were made to extend the work of Tougaard [J. Vac. Sci. Technol. A 14, 1415 (1996)] and of Powell et al. [J. Vac. Sci. Technol. A 31, 021402 (2013)] who performed similar simulations for four types of planar copper–gold films. The Cu 2p spectra for the NPs were compared and contrasted with analogous results for the planar films and the effects of elastic scatteringmore » were investigated. The new simulations were made for a monolayer of three types of Cu/Au core–shell NPs on a Si substrate: (1) an Au shell of variable thickness on a Cu core with diameters of 0.5, 1.0, 2.0, 5.0, and 10.0 nm; (2) a Cu shell of variable thickness on an Au core with diameters of 0.5, 1.0, 2.0, 5.0, and 10.0 nm; and (3) an Au shell of variable thickness on a 1 nm Cu shell on an Au core with diameters of 0.5, 1.0, 2.0, 5.0, and 10.0 nm. For these three morphologies, the outer-shell thickness was varied until the Cu 2p{sub 3/2} peak intensity was the same (within 2%) as that found in our previous work with planar Cu/Au morphologies. The authors also performed similar simulations for a monolayer of spherical NPs consisting of a CuAu{sub x} alloy (also on a Si substrate) with diameters of 0.5, 1.0, 2.0, 5.0, and 10.0 nm. In the latter simulations, the relative Au concentration (x) was varied to give the same Cu 2p{sub 3/2} peak intensity (within 2%) as that found previously. For each morphology, the authors performed simulations with elastic scattering switched on and off. The authors found that elastic-scattering effects were generally strong for the Cu-core/Au-shell and weak for the Au-core/Cu-shell NPs; intermediate elastic-scattering effects were found for the Au-core/Cu-shell/Au-shell NPs. The shell thicknesses required

Tetrahedral hydrocarbon nanoparticles in space: X-ray spectra

NASA Astrophysics Data System (ADS)

Bilalbegović, G.; Maksimović, A.; Valencic, L. A.

2018-06-01

It has been proposed, or confirmed, that diamond nanoparticles exist in various environments in space: close to active galactic nuclei, in the vicinity of supernovae and pulsars, in the interior of several planets in the Solar system, in carbon planets, and other exoplanets, carbon-rich stars, meteorites, in X-ray active Herbig Ae/Be stars, and in the interstellar medium. Using density functional theory methods, we calculate the carbon K-edge X-ray absorption spectrum of two large tetrahedral nanodiamonds: C26H32 and C51H52. We also study and test our methods on the astrophysical molecule CH4, the smallest C-H tetrahedral structure. A possible detection of nanodiamonds from X-ray spectra by future telescopes, such as the project Arcus, is proposed. Simulated spectra of the diffuse interstellar medium using Cyg X-2 as a source show that nanodiamonds studied in this work can be detected by Arcus, a high-resolution X-ray spectrometer mission selected by NASA for a Phase A concept study.

Analyzing the Spectra of Accreting X-Ray Pulsars

NASA Astrophysics Data System (ADS)

Wolff, Michael

This proposal seeks funding for the analysis of accretion-powered X-ray pulsar spectra from NASA/ HEASARC archived X-ray data. Spectral modeling of accreting X-ray pulsars can tell us a great deal about the physical conditions in and near high mass X-ray binary systems. Such systems have accretion flows where plasma is initially channeled from an accretion disk by the strong neutron star magnetic field, eventually falling onto the magnetic polar cap of the neutron star compact object. Many of these accreting X-ray pulsars have X-ray spectra that consist of broad power-law continua with superposed cyclotron resonant scattering features indicating magnetic field strengths above 10^12 G. The energies of these cyclotron line features have recently been shown to vary with X-ray luminosity in a number of sources such as Her X-1 and V 0332+53, a phenomenon not well understood. Another recent development is the relatively new analytic model for the spectral continuum formation in accretion-powered pulsar systems developed by Becker & Wolff. In their formalism the accretion flows are assumed to go through radiation- dominated radiative shocks and settle onto the neutron star surface. The radiation field consists of strongly Comptonized bremsstrahlung emission from the entire plasma, Comptonized cyclotron emission from the de-excitations of Landau-excited electrons in the neutron star magnetic field, and Comptonized black-body emission from a thermal mound near the neutron star surface. We seek to develop the data analysis tools to apply this model framework to the X-ray data from a wide set of sources to make progress characterizing the basic accretion properties (e.g., magnetic field strength, plasma temperatures, polar cap size, accretion rate per unit area, dominance of bulk vs. thermal Comptonization) as well as understanding the variations of the cyclotron line energies with X-ray luminosity. The three major goals of our proposed work are as follows: In the first year

Quantitative interpretation of molecular dynamics simulations for X-ray photoelectron spectroscopy of aqueous solutions

NASA Astrophysics Data System (ADS)

Olivieri, Giorgia; Parry, Krista M.; Powell, Cedric J.; Tobias, Douglas J.; Brown, Matthew A.

2016-04-01

Over the past decade, energy-dependent ambient pressure X-ray photoelectron spectroscopy (XPS) has emerged as a powerful analytical probe of the ion spatial distributions at the vapor (vacuum)-aqueous electrolyte interface. These experiments are often paired with complementary molecular dynamics (MD) simulations in an attempt to provide a complete description of the liquid interface. There is, however, no systematic protocol that permits a straightforward comparison of the two sets of results. XPS is an integrated technique that averages signals from multiple layers in a solution even at the lowest photoelectron kinetic energies routinely employed, whereas MD simulations provide a microscopic layer-by-layer description of the solution composition near the interface. Here, we use the National Institute of Standards and Technology database for the Simulation of Electron Spectra for Surface Analysis (SESSA) to quantitatively interpret atom-density profiles from MD simulations for XPS signal intensities using sodium and potassium iodide solutions as examples. We show that electron inelastic mean free paths calculated from a semi-empirical formula depend strongly on solution composition, varying by up to 30% between pure water and concentrated NaI. The XPS signal thus arises from different information depths in different solutions for a fixed photoelectron kinetic energy. XPS signal intensities are calculated using SESSA as a function of photoelectron kinetic energy (probe depth) and compared with a widely employed ad hoc method. SESSA simulations illustrate the importance of accounting for elastic-scattering events at low photoelectron kinetic energies (<300 eV) where the ad hoc method systematically underestimates the preferential enhancement of anions over cations. Finally, some technical aspects of applying SESSA to liquid interfaces are discussed.

A novel method for resonant inelastic soft X-ray scattering via photoelectron spectroscopy detection

DOE PAGES

Dakovski, Georgi L.; Lin, Ming-Fu; Damiani, Daniel S.; ...

2017-10-05

A method for measuring resonant inelastic X-ray scattering based on the conversion of X-ray photons into photoelectrons is presented in this paper. The setup is compact, relies on commercially available detectors, and offers significant flexibility. Finally, this method is demonstrated at the Linac Coherent Light Source with ~0.5 eV resolution at the cobalt L 3-edge, with signal rates comparable with traditional grating spectrometers.

The peculiar optical-UV X-ray spectra of the X-ray weak quasar PG 0043+039

NASA Astrophysics Data System (ADS)

Kollatschny, W.; Schartel, N.; Zetzl, M.; Santos-Lleó, M.; Rodríguez-Pascual, P. M.; Ballo, L.; Talavera, A.

2016-01-01

Context. The object PG 0043+039 has been identified as a broad absorption line (BAL) quasar based on its UV spectra. However, this optical luminous quasar has not been detected before in deep X-ray observations, making it the most extreme X-ray weak quasar known today. Aims: This study aims to detect PG 0043+039 in a deep X-ray exposure. The question is what causes the extreme X-ray weakness of PG 0043+039? Does PG 0043+039 show other spectral or continuum peculiarities? Methods: We took simultaneous deep X-ray spectra with XMM-Newton, far-ultraviolet (FUV) spectra with the Hubble Space Telescope (HST), and optical spectra of PG 0043+039 with the Hobby-Eberly Telescope (HET) and Southern African Large Telescope (SALT) in July, 2013. Results: We have detected PG 0043+039 in our X-ray exposure taken in 2013. We presented our first results in a separate paper (Kollatschny et al. 2015). PG 0043+039 shows an extreme αox gradient (αox = -2.37). Furthermore, we were able to verify an X-ray flux of this source in a reanalysis of the X-ray data taken in 2005. At that time, it was fainter by a factor of 3.8 ±0.9 with αox = -2.55. The X-ray spectrum is compatible with a normal quasar power-law spectrum (Γ = 1.70-0.45+0.57) with moderate intrinsic absorption (NH = 5.5-3.9+6.9 × 1021 cm-2) and reflection. The UV/optical flux of PG 0043+039 has increased by a factor of 1.8 compared to spectra taken in the years 1990-1991. The FUV spectrum is highly peculiar and dominated by broad bumps besides Lyα. There is no detectable Lyman edge associated with the BAL absorbing gas seen in the CIV line. PG 0043+039 shows a maximum in the overall continuum flux at around λ ≈ 2500 Å in contrast to most other AGN where the maximum is found at shorter wavelengths. All the above is compatible with an intrinsically X-ray weak quasar, rather than an absorbed X-ray emission. Besides strong FeII multiplets and broad Balmer and HeI lines in the optical band we only detect a narrow [O II

Direct measurement of clinical mammographic x-ray spectra using a CdTe spectrometer.

PubMed

Santos, Josilene C; Tomal, Alessandra; Furquim, Tânia A; Fausto, Agnes M F; Nogueira, Maria S; Costa, Paulo R

2017-07-01

To introduce and evaluate a method developed for the direct measurement of mammographic x-ray spectra using a CdTe spectrometer. The assembly of a positioning system and the design of a simple and customized alignment device for this application is described. A positioning system was developed to easily and accurately locate the CdTe detector in the x-ray beam. Additionally, an alignment device to line up the detector with the central axis of the radiation beam was designed. Direct x-ray spectra measurements were performed in two different clinical mammography units and the measured x-ray spectra were compared with computer-generated spectra. In addition, the spectrometer misalignment effect was evaluated by comparing the measured spectra when this device is aligned relatively to when it is misaligned. The positioning and alignment of the spectrometer have allowed the measurements of direct mammographic x-ray spectra in agreement with computer-generated spectra. The most accurate x-ray spectral shape, related with the minimal HVL value, and high photon fluence for measured spectra was found with the spectrometer aligned according to the proposed method. The HVL values derived from both simulated and measured x-ray spectra differ at most 1.3 and 4.5% for two mammography devices evaluated in this study. The experimental method developed in this work allows simple positioning and alignment of a spectrometer for x-ray spectra measurements given the geometrical constraints and maintenance of the original configurations of mammography machines. © 2017 American Association of Physicists in Medicine.

Identification of metal s states in Sn-doped anatase by polarisation dependent hard X-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Regoutz, A.; Oropeza, F. E.; Poll, C. G.; Payne, D. J.; Palgrave, R. G.; Panaccione, G.; Borgatti, F.; Agrestini, S.; Utsumi, Y.; Tsuei, K. D.; Liao, Y. F.; Watson, G. W.; Egdell, R. G.

2016-03-01

The contributions of Sn 5s and Ti 4s states to the valence band electronic structure of Sn-doped anatase have been identified by hard X-ray photoelectron spectroscopy. The metal s state intensity is strongly enhanced relative to that of O 2p states at high photon energies due to matrix element effects when electrons are detected parallel to the direction of the polarisation vector of the synchrotron beam, but becomes negligible in the perpendicular direction. The experimental spectra in both polarisations are in good agreement with cross section and asymmetry parameter weighted partial densities of states derived from density functional theory calculations.

Multi-reference approach to the calculation of photoelectron spectra including spin-orbit coupling.

PubMed

Grell, Gilbert; Bokarev, Sergey I; Winter, Bernd; Seidel, Robert; Aziz, Emad F; Aziz, Saadullah G; Kühn, Oliver

2015-08-21

X-ray photoelectron spectra provide a wealth of information on the electronic structure. The extraction of molecular details requires adequate theoretical methods, which in case of transition metal complexes has to account for effects due to the multi-configurational and spin-mixed nature of the many-electron wave function. Here, the restricted active space self-consistent field method including spin-orbit coupling is used to cope with this challenge and to calculate valence- and core-level photoelectron spectra. The intensities are estimated within the frameworks of the Dyson orbital formalism and the sudden approximation. Thereby, we utilize an efficient computational algorithm that is based on a biorthonormal basis transformation. The approach is applied to the valence photoionization of the gas phase water molecule and to the core ionization spectrum of the [Fe(H2O)6](2+) complex. The results show good agreement with the experimental data obtained in this work, whereas the sudden approximation demonstrates distinct deviations from experiments.

Interactions of gaseous molecules with X-ray photons and photoelectrons in AP-XPS study of solid surface in gas phase.

PubMed

Tao, Franklin Feng; Nguyen, Luan

2018-04-18

Studies of the surface of a catalyst in the gas phase via photoelectron spectroscopy is an important approach to establish a correlation between the surface of a catalyst under reaction conditions or during catalysis and its corresponding catalytic performance. Unlike the well understood interactions between photoelectrons and the atomic layers of a surface in ultrahigh vacuum (UHV) and the well-developed method of quantitative analysis of a solid surface in UHV, a fundamental understanding of the interactions between X-ray photons and gaseous molecules and between photoelectrons and molecules of the gas phase in ambient pressure X-ray photoelectron spectroscopy (AP-XPS) is lacking. Through well designed experiments, here the impact of the interactions between photoelectrons and gaseous molecules and interactions between X-ray photons and gaseous molecules on the intensity of the collected photoelectrons have been explored. How the changes in photoelectron intensity resulting from these interactions influence measurement of the authentic atomic ratio of element M to A of a solid surface has been discussed herein, and methods to correct the measured nominal atomic ratio of two elements of a solid surface upon travelling through a gas phase to its authentic atomic ratio have been developed.

Development of a single-shot CCD-based data acquisition system for time-resolved X-ray photoelectron spectroscopy at an X-ray free-electron laser facility

PubMed Central

Oura, Masaki; Wagai, Tatsuya; Chainani, Ashish; Miyawaki, Jun; Sato, Hiromi; Matsunami, Masaharu; Eguchi, Ritsuko; Kiss, Takayuki; Yamaguchi, Takashi; Nakatani, Yasuhiro; Togashi, Tadashi; Katayama, Tetsuo; Ogawa, Kanade; Yabashi, Makina; Tanaka, Yoshihito; Kohmura, Yoshiki; Tamasaku, Kenji; Shin, Shik; Ishikawa, Tetsuya

2014-01-01

In order to utilize high-brilliance photon sources, such as X-ray free-electron lasers (XFELs), for advanced time-resolved photoelectron spectroscopy (TR-PES), a single-shot CCD-based data acquisition system combined with a high-resolution hemispherical electron energy analyzer has been developed. The system’s design enables it to be controlled by an external trigger signal for single-shot pump–probe-type TR-PES. The basic performance of the system is demonstrated with an offline test, followed by online core-level photoelectron and Auger electron spectroscopy in ‘single-shot image’, ‘shot-to-shot image (image-to-image storage or block storage)’ and ‘shot-to-shot sweep’ modes at soft X-ray undulator beamline BL17SU of SPring-8. In the offline test the typical repetition rate for image-to-image storage mode has been confirmed to be about 15 Hz using a conventional pulse-generator. The function for correcting the shot-to-shot intensity fluctuations of the exciting photon beam, an important requirement for the TR-PES experiments at FEL sources, has been successfully tested at BL17SU by measuring Au 4f photoelectrons with intentionally controlled photon flux. The system has also been applied to hard X-ray PES (HAXPES) in ‘ordinary sweep’ mode as well as shot-to-shot image mode at the 27 m-long undulator beamline BL19LXU of SPring-8 and also at the SACLA XFEL facility. The XFEL-induced Ti 1s core-level spectrum of La-doped SrTiO3 is reported as a function of incident power density. The Ti 1s core-level spectrum obtained at low power density is consistent with the spectrum obtained using the synchrotron source. At high power densities the Ti 1s core-level spectra show space-charge effects which are analysed using a known mean-field model for ultrafast electron packet propagation. The results successfully confirm the capability of the present data acquisition system for carrying out the core-level HAXPES studies of condensed matter induced by the

Valence change detection in memristive oxide based heterostructure cells by hard X-ray photoelectron emission spectroscopy

NASA Astrophysics Data System (ADS)

Kindsmüller, A.; Schmitz, C.; Wiemann, C.; Skaja, K.; Wouters, D. J.; Waser, R.; Schneider, C. M.; Dittmann, R.

2018-04-01

The switching mechanism of valence change resistive memory devices is widely accepted to be an ionic movement of oxygen vacancies resulting in a valence change of the metal cations. However, direct experimental proofs of valence changes in memristive devices are scarce. In this work, we have employed hard X-ray photoelectron emission microscopy (PEEM) to probe local valence changes in Pt/ZrOx/Ta memristive devices. The use of hard X-ray radiation increases the information depth, thus providing chemical information from buried layers. By extracting X-ray photoelectron spectra from different locations in the PEEM images, we show that zirconia in the active device area is reduced compared to a neighbouring region, confirming the valence change in the ZrOx film during electroforming. Furthermore, we succeeded in measuring the Ta 4f spectrum for two different resistance states on the same device. In both states, as well as outside the device region, the Ta electrode is composed of different suboxides without any metallic contribution, hinting to the formation of TaOx during the deposition of the Ta thin film. We observed a reduction of the Ta oxidation state in the low resistance state with respect to the high resistive state. This observation is contradictory to the established model, as the internal redistribution of oxygen between ZrOx and the Ta electrode during switching would lead to an oxidation of the Ta layer in the low resistance state. Instead, we have to conclude that the Ta electrode takes an active part in the switching process in our devices and that oxygen is released and reincorporated in the ZrOx/TaOx bilayer during switching. This is confirmed by the degradation of the high resistance state during endurance measurements under vacuum.

X-ray spectra and electronic structure of the Ca3Ga2Ge3О12 compound

NASA Astrophysics Data System (ADS)

Shcherba, I. D.; Kostyk, L. V.; Noga, H.; Bekenov, L. V.; Uskokovich, D.; Jatsyk, B. M.

2017-09-01

The band structure of Ca3Ga2Ge3О12 with the garnet structure has been determined for the first time by X-ray emission and photoelectron spectroscopy. It has been established that the bottom of the valence band is formed by Ge d states, which are not dominant in the chemical bonding. Strong hybridization of oxygen 2s states with 4p states of Ga and Ge revealed by the presence of an extra structure in the X-ray emission spectra has been found. The middle of the valence band has been demonstrated to be occupied by d states of Ga, while Ga and Ge 4рstates with a considerable admixture of oxygen 2p states form the top of the valence band.

X-ray photoelectron spectroscopy for characterization of wood surfaces in adhesion studies

Treesearch

James F. Beecher; Charles R. Frihart

2005-01-01

X-ray photoelectron spectroscopy (XPS) is one of a set of tools that have been used to characterize wood surfaces. Among the advantages of XPS are surface sensitivity, identification of nearly all elements, and frequently, discrimination of bonding states. For these reasons, XPS seemed to be an appropriate tool to help explain the differences in bond strength under wet...

X-ray spectra and electron structure of A15 compounds of transition metals

NASA Astrophysics Data System (ADS)

Kurmaev, E. Z.; Iarmoshenko, Iu. M.

1988-01-01

Results of an X-ray emission spectroscopy study of the electron structure of A15 compounds are reported. In particular, attention is given to the X-ray spectra of A15 compounds of the A3B type with transition and nontransition elements, effect of alloying on the formation of the electron structure of ternary phases, and effect of atomic ordering in the X-ray spectra of A15 compounds with changes in heat treament and concentration. The X-ray spectra of A15 compounds irradiated by fast neutrons are also examined.

X-ray photoelectron spectroscopy analysis for the chemical impact of solvent addition rate on electromagnetic shielding effectiveness of HCl-doped polyaniline nanopowders

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tantawy, Hesham Ramzy; Aston, D. Eric, E-mail: aston@uidaho.edu; Kengne, Blaise-Alexis F.

2015-11-07

An in-depth analysis of the chemical functionality in HCl-doped polyaniline (PANI) nanopowders is discussed through interpretations of x-ray photoelectron spectra. The distinctions between three PANI sample types, produced under varied synthesis conditions, are compared on the basis correlations between newly collected electron spectra for chemical analysis (or also x-ray photoelectron spectroscopy) and electromagnetic (EM) shielding effectiveness (SE) within two frequency bands (100–1500 MHz and ∼2–14 GHz). The findings are discussed with reference to previous data analysis of electrical conductivities and Raman and UV-vis spectra analyzed from replicates of the same PANI nanopowders, where only the 8–12 GHz range for SE was tested.more » They further corroborate previous results for limited-solvent conditions that enhance EM shielding. The three nanopowder types show distinctive differences in polaron, bipolaron, and polar lattice contributions. The collective findings describe the chemical connections between controlling and, most importantly, limiting the available solvent for polymerization with simultaneously doping and how it is that the newly developed solvent-limited approach for HCl-PANI nanopowders provides better shielding than traditionally solvent-rich methods by having more extended and perhaps even faster polaron delocalization than other PANI-based products. The maximum oxidation (50%) and doping (49%) levels obtained in the solvent-free nanopowders also produced the highest SE values of 37.3 ± 3.7 dB (MHz band) and 68.6 ± 4.6 dB (GHz band)« less

Theory of time-resolved x-ray photoelectron diffraction from transient conformational molecules

NASA Astrophysics Data System (ADS)

Tsuru, Shota; Sako, Tokuei; Fujikawa, Takashi; Yagishita, Akira

2017-04-01

We formulate x-ray photoelectron diffraction (XPD) from molecules undergoing photochemical reactions induced by optical laser pulses, and then apply the formula to the simulation of time-dependent XPD profiles from both dissociating I2 molecules and bending C S2 molecules. The dependence of nuclear wave-packet motions on the intensity and shape of the optical laser pulses is examined. As a result, the XPD simulations based on such nuclear wave-packet calculations are observed to exhibit characteristic features, which are compared with the XPD profiles due to classical trajectories of nuclear motions. The present study provides a methodology toward creating "molecular movies" of ultrafast photochemical reactions by means of femtosecond XPD with x-ray free-electron lasers.

Reply to ``Comment on `Relation between copper {ital L} x-ray fluorescence and 2{ital p} x-ray photoelectron spectroscopies` ``

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kawai, J.; Maeda, K.; Nakajima, K.

1995-08-15

Ohno`s preceding Comment [Phys. Rev. B 52, 6127 (1995)] was based on experimental raw spectra of copper {ital L} x-ray emission. The Cu {ital L} x-ray emission spectra were, however, heavily smeared by the self-absorption effect, which was a source of contradiction. The electronic structure of divalent copper oxide was calculated placing one core hole and two 3{ital d} holes, with the result that the spectator 3{ital d} holes were delocalized in the adiabatic limit. This implies that the spectator 3{ital d} hole produced by the {ital L}{sub 1,2}{ital L}{sub 3}{ital M}{sub 4,5} Coster-Kronig transition preceding the {ital L}{sub 3}-{italmore » M} x-ray emission will be mostly delocalized at the time of the {ital L}{sub 3}-{ital M} x-ray emission, and thus the spectator satellite will be weaker than is expected for the free atom. Ohno did not consider this delocalization, which was another source of contradiction.« less

XAP, a program for deconvolution and analysis of complex X-ray spectra

USGS Publications Warehouse

Quick, James E.; Haleby, Abdul Malik

1989-01-01

The X-ray analysis program (XAP) is a spectral-deconvolution program written in BASIC and specifically designed to analyze complex spectra produced by energy-dispersive X-ray analytical systems (EDS). XAP compensates for spectrometer drift, utilizes digital filtering to remove background from spectra, and solves for element abundances by least-squares, multiple-regression analysis. Rather than base analyses on only a few channels, broad spectral regions of a sample are reconstructed from standard reference spectra. The effects of this approach are (1) elimination of tedious spectrometer adjustments, (2) removal of background independent of sample composition, and (3) automatic correction for peak overlaps. Although the program was written specifically to operate a KEVEX 7000 X-ray fluorescence analytical system, it could be adapted (with minor modifications) to analyze spectra produced by scanning electron microscopes, electron microprobes, and probes, and X-ray defractometer patterns obtained from whole-rock powders.

Photoelectron spectra of some antibiotic building blocks: 2-azetidinone and thiazolidine-carboxylic acid.

PubMed

Ahmed, Marawan; Ganesan, Aravindhan; Wang, Feng; Feyer, Vitaliy; Plekan, Oksana; Prince, Kevin C

2012-08-23

X-ray photoelectron spectra of the core and valence levels of the fundamental building blocks of β-lactam antibiotics have been investigated and compared with theoretical calculations. The spectra of the compounds 2-azetidinone and the 2- and 4-isomers of thiazolidine-carboxylic acid are interpreted in the light of theoretical calculations. The spectra of the two isomers of thiazolidine-carboxylic acid are rather similar, as expected, but show clear effects due to isomerization. Both isomers are analogues of proline, which is well-known to populate several low energy conformers in the gas phase. We have investigated the low energy conformers of thiazolidine-4-carboxylic acid theoretically in more detail and find some spectroscopic evidence that multiple conformers may be present. The measured valence levels are assigned for all three compounds, and the character of the frontier orbitals is identified and analyzed.

Bandpass x-ray diode and x-ray multiplier detector

DOEpatents

Wang, C.L.

1982-09-27

An absorption-edge of an x-ray absorption filter and a quantum jump of a photocathode determine the bandpass characteristics of an x-ray diode detector. An anode, which collects the photoelectrons emitted by the photocathode, has enhanced amplification provided by photoelectron-multiplying means which include dynodes or a microchannel-plate electron-multiplier. Suppression of undesired high frequency response for a bandpass x-ray diode is provided by subtracting a signal representative of energies above the passband from a signal representative of the overall response of the bandpass diode.

Energy spectra of X-ray clusters of galaxies

NASA Technical Reports Server (NTRS)

Avni, Y.

1976-01-01

A procedure for estimating the ranges of parameters that describe the spectra of X-rays from clusters of galaxies is presented. The applicability of the method is proved by statistical simulations of cluster spectra; such a proof is necessary because of the nonlinearity of the spectral functions. Implications for the spectra of the Perseus, Coma, and Virgo clusters are discussed. The procedure can be applied in more general problems of parameter estimation.

Ambient-Pressure X-ray Photoelectron Spectroscopy to Characterize the Solid/Liquid Interface: Probing the Electrochemical Double Layer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Favaro, Marco; Liu, Zhi; Crumlin, Ethan J.

Ambient-pressure X-ray photoelectron spectroscopy (APXPS) has contributed greatly to a wide range of research fields, including environmental science, catalysis, and electrochemistry, to name a few. The use of this technique at synchrotron facilities primarily focused on probing the solid/gas interface; however, it quickly advanced to the probing of liquid/vapor interfaces and solid/liquid interfaces through an X-ray-transparent window. Most recently, combining APXPS with “Tender” X-rays (~2.5 keV to 8 keV) on beamline 9.3.1 at the Advanced Light Source in Lawrence Berkeley National Laboratory (which can generate photoelectrons with much longer inelastic mean free paths) has enabled us to probe the solid/liquidmore » interface without needing a window. This innovation allows us to probe interfacial chemistries of electrochemically controlled solid/liquid interfaces undergoing charge transfer reactions. Lastly, these advancements have transitioned APXPS from a traditional surface science tool to an essential interface science technique.« less

Ambient-Pressure X-ray Photoelectron Spectroscopy to Characterize the Solid/Liquid Interface: Probing the Electrochemical Double Layer

DOE PAGES

Favaro, Marco; Liu, Zhi; Crumlin, Ethan J.

2017-03-31

Ambient-pressure X-ray photoelectron spectroscopy (APXPS) has contributed greatly to a wide range of research fields, including environmental science, catalysis, and electrochemistry, to name a few. The use of this technique at synchrotron facilities primarily focused on probing the solid/gas interface; however, it quickly advanced to the probing of liquid/vapor interfaces and solid/liquid interfaces through an X-ray-transparent window. Most recently, combining APXPS with “Tender” X-rays (~2.5 keV to 8 keV) on beamline 9.3.1 at the Advanced Light Source in Lawrence Berkeley National Laboratory (which can generate photoelectrons with much longer inelastic mean free paths) has enabled us to probe the solid/liquidmore » interface without needing a window. This innovation allows us to probe interfacial chemistries of electrochemically controlled solid/liquid interfaces undergoing charge transfer reactions. Lastly, these advancements have transitioned APXPS from a traditional surface science tool to an essential interface science technique.« less

Spatial power-spectra from Yohkoh soft X-ray images

NASA Technical Reports Server (NTRS)

Martens, Petrus C. H.; Gomez, Daniel O.

1992-01-01

We analyze three sequences of images from active regions, and a full disk image obtained by Yohkoh's Soft X-ray Telescope. Two sequences are from a region at center disk observed through different filters, and one sequence is from the limb. After Fourier-transforming the X-ray intensity of the images we find nearly isotropic power-spectra with an azimuthally integrated slope of -2.1 for the center disk, and -2.8 for the limb images. The full-disk picture yields a spectrum of -2.4. These results are different from the active region spectra obtained with the Normal Incidence X-ray Telescope which have a slope of the order of -3.0, and we ascribe this to the difference in temperature response between the instruments. However, both the SXT and NIXT results are consistent with coronal heating as the end result of a downward quasistatic cascade (in lengthscales) of free magnetic energy in the corona, driven by footpoint motions in the photosphere.

On the origin of X-ray spectra in luminous blazars

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sikora, Marek; Janiak, Mateusz; Nalewajko, Krzysztof

2013-11-26

Gamma-ray luminosities of some quasar-associated blazars imply jet powers reaching values comparable to the accretion power even if assuming very strong Doppler boosting and very high efficiency of gamma-ray production. With much lower radiative efficiencies of protons than of electrons, and the recent reports of very strong coupling of electrons with shock-heated protons indicated by particle-in-cell simulations, the leptonic models seem to be strongly favored over the hadronic ones. However, the electron-proton coupling combined with the external-radiation-Compton (ERC) models of gamma-ray production in leptonic models predict extremely hard X-ray spectra, with energy indices α x ~ 0. This is inconsistentmore » with the observed 2-10 keV slopes of blazars, which cluster around α x ~ 0.6. This problem can be resolved by assuming that electrons can be efficiently cooled down radiatively to non-relativistic energies, or that blazar spectra are entirely dominated by the synchrotron self-Compton (SSC) component up to at least 10 keV. Here, we show that the required cooling can be sufficiently efficient only at distances r < 0.03 pc. SSC spectra, on the other hand, can be produced roughly co-spatially with the observed synchrotron and ERC components, which are most likely located roughly at a parsec scale. We show that the dominant SSC component can also be produced much further than the dominant synchrotron and ERC components, at distances of gsim 10 pc. Hence, depending on the spatial distribution of the energy dissipation along the jet, one may expect to see γ-ray/optical events with either correlated or uncorrelated X-rays. In all cases the number of e +e – pairs per proton is predicted to be very low. The direct verification of the proposed SSC scenario, and particularly the question of the co-spatiality of the SSC component with other spectral components, requires sensitive observations in the hard X-ray band. Lastly, this is now possible with the

INTEGRAL hard X-ray spectra of the cosmic X-ray background and Galactic ridge emission

NASA Astrophysics Data System (ADS)

Türler, M.; Chernyakova, M.; Courvoisier, T. J.-L.; Lubiński, P.; Neronov, A.; Produit, N.; Walter, R.

2010-03-01

Aims: We derive the spectra of the cosmic X-ray background (CXB) and of the Galactic ridge X-ray emission (GRXE) in the ~20-200 keV range from the data of the IBIS instrument aboard the INTEGRAL satellite obtained during the four dedicated Earth-occultation observations in early 2006. Methods: We analyze the modulation of the IBIS/ISGRI detector counts induced by the passage of the Earth through the field of view of the instrument. Unlike previous studies, we do not fix the spectral shape of the various contributions, but model instead their spatial distribution and derive for each of them the expected modulation of the detector counts. The spectra of the diffuse emission components are obtained by fitting the normalizations of the model lightcurves to the observed modulation in different energy bins. Because of degeneracy, we guide the fits with a realistic choice of the input parameters and a constraint for spectral smoothness. Results: The obtained CXB spectrum is consistent with the historic HEAO-1 results and falls slightly below the spectrum derived with Swift/BAT. A 10% higher normalization of the CXB cannot be completely excluded, but it would imply an unrealistically high albedo of the Earth. The derived spectrum of the GRXE confirms the presence of a minimum around 80 keV with improved statistics and yields an estimate of ~0.6 M⊙ for the average mass of white dwarfs in the Galaxy. The analysis also provides updated normalizations for the spectra of the Earth's albedo and the cosmic-ray induced atmospheric emission. Conclusions: This study demonstrates the potential of INTEGRAL Earth-occultation observations to derive the hard X-ray spectra of three fundamental components: the CXB, the GRXE and the Earth emission. Further observations would be extremely valuable to confirm our results with improved statistics.

Summary: Update to ASTM Guide E 1523 to Charge Control and Charge Referencing Techniques in X-ray Photoelectron Spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baer, Donald R.

2005-04-22

An updated version of the ASTM guide E1523 to the methods to charge control and charge referencing techniques in x-ray photoelectron spectroscopy has been released by ASTM. The guide is meant to acquaint x-ray photoelectron spectroscopy (XPS) users with the various charge control and charge referencing techniques that are and have been used in the acquisition and interpretation of XPS data from surfaces of insulating specimens. The current guide has been expanded to include new references as well as recommendations for reporting information on charge control and charge referencing. The previous version of the document had been published in 1997.

X-ray photoelectron spectroscopy characterization of a nonsuperconducting Y-Ba-Cu-O superconductor-normal-metal-superconductor barrier material

NASA Technical Reports Server (NTRS)

Vasquez, R. P.; Hunt, B. D.; Foote, M. C.; Bajuk, L. J.

1992-01-01

A film of a novel nonsuperconducting Y-Ba-Cu-O (YBCO) barrier material was grown using conditions similar to those reported by Agostinelli et al. (1991) for forming a cubic semiconducting (c-YBCO) phase, and the material was characterized using X-ray photoelectron spectroscopy (XPS). A comparison of the XPS spectra of this material to those obtained from the orthorhombic and tetragonal phases of YBCO (o-YBCO and t-YBCO, respectively) showed that the barrier material had spectral characteristics different from those of o-YBCO and t-YBCO, particularly in the O 1s region. Features associated with the Cu-O chain and surface-reconstructed Cu-O planes were absent, consistent with expectations for the simple perovskite crystal structure of c-YBCO proposed by Agostinelli et al.

Composition of RF-sputtered refractory compounds determined by X-ray photoelectron spectroscopy

NASA Technical Reports Server (NTRS)

Wheeler, D. R.; Brainard, W. A.

1978-01-01

RF-sputtered coatings of CrB2, MoSi2, Mo2C, TiC, and MoS2 were examined by X-ray photoelectron spectroscopy (XPS). Data on stoichiometry, impurity content, and chemical bonding were obtained. The influences of sputtering target history, deposition time, RF power level, and substrate bias were studied. Significant deviations from stoichiometry and high oxide levels were related to target outgassing. The effect of substrate bias depended on the particular coating material studied.

OSO 8 X-ray spectra of clusters of galaxies. II - Discussion

NASA Technical Reports Server (NTRS)

Smith, B. W.; Mushotzky, R. F.; Serlemitsos, P. J.

1979-01-01

An observational description of X-ray clusters of galaxies is given based on OSO 8 X-ray results for spatially integrated spectra of 20 such clusters and various correlations obtained from these results. It is found from a correlation between temperature and velocity dispersion that the X-ray core radius should be less than the galaxy core radius or, alternatively, that the polytropic index is about 1.1 for most of the 20 clusters. Analysis of a correlation between temperature and emission integral yields evidence that more massive clusters accumulate a larger fraction of their mass as intracluster gas. Galaxy densities and optical morphology, as they correlate with X-ray properties, are reexamined for indications as to how mass injection by galaxies affects the density structure of the gas. The physical arguments used to derive iron abundances from observed equivalent widths of iron line features in X-ray spectra are critically evaluated, and the associated uncertainties in abundances derived in this manner are estimated to be quite large.

High Electrochemical Sensitivity of TiO2- x Nanosheets and an Electron-Induced Mutual Interference Effect toward Heavy Metal Ions Demonstrated Using X-ray Absorption Fine Structure Spectra.

PubMed

Zhou, Wen-Yi; Li, Shan-Shan; Song, Jie-Yao; Jiang, Min; Jiang, Tian-Jia; Liu, Jin-Yun; Liu, Jin-Huai; Huang, Xing-Jiu

2018-04-03

Mutual interference is a severe issue that occurs during the electrochemical detection of heavy metal ions. This limitation presents a notable drawback for its high sensitivity to specific targets. Here, we present a high electrochemical sensitivity of ∼237.1 μA cm -2 μM -1 toward copper(II) [Cu(II)] based on oxygen-deficient titanium dioxide (TiO 2- x ) nanosheets. We fully demonstrated an atomic-level relationship between electrochemical behaviors and the key factors, including the high-energy (001) facet percentage, oxygen vacancy concentration, surface -OH content, and charge carrier density, is fully demonstrated. These four factors were quantified using Raman, electron spin resonance, X-ray photoelectron spectroscopy spectra, and Mott-Schottky plots. In the mutual interference investigation, we selected cadmium(II) [Cd(II)] as the target ion because of the significant difference in its stripping potential (∼700 mV). The results show that the Cd(II) can enhance the sensitivity of TiO 2- x nanosheets toward Cu(II), exhibiting an electron-induced mutual interference effect, as demonstrated by X-ray absorption fine structure spectra.

Generation of calibrated tungsten target x-ray spectra: modified TBC model.

PubMed

Costa, Paulo R; Nersissian, Denise Y; Salvador, Fernanda C; Rio, Patrícia B; Caldas, Linda V E

2007-01-01

In spite of the recent advances in the experimental detection of x-ray spectra, theoretical or semi-empirical approaches for determining realistic x-ray spectra in the range of diagnostic energies are important tools for planning experiments, estimating radiation doses in patients, and formulating radiation shielding models. The TBC model is one of the most useful approaches since it allows for straightforward computer implementation, and it is able to accurately reproduce the spectra generated by tungsten target x-ray tubes. However, as originally presented, the TBC model fails in situations where the determination of x-ray spectra produced by an arbitrary waveform or the calculation of realistic values of air kerma for a specific x-ray system is desired. In the present work, the authors revisited the assumptions used in the original paper published by . They proposed a complementary formulation for taking into account the waveform and the representation of the calculated spectra in a dosimetric quantity. The performance of the proposed model was evaluated by comparing values of air kerma and first and second half value layers from calculated and measured spectra by using different voltages and filtrations. For the output, the difference between experimental and calculated data was better then 5.2%. First and second half value layers presented differences of 23.8% and 25.5% in the worst case. The performance of the model in accurately calculating these data was better for lower voltage values. Comparisons were also performed with spectral data measured using a CZT detector. Another test was performed by the evaluation of the model when considering a waveform distinct of a constant potential. In all cases the model results can be considered as a good representation of the measured data. The results from the modifications to the TBC model introduced in the present work reinforce the value of the TBC model for application of quantitative evaluations in radiation

X-Ray Photoelectron Spectroscopy of Stabilized Zirconia Films with Embedded Au Nanoparticles Formed under Irradiation with Gold Ions

NASA Astrophysics Data System (ADS)

Zubkov, S. Yu.; Antonov, I. N.; Gorshkov, O. N.; Kasatkin, A. P.; Kryukov, R. N.; Nikolichev, D. E.; Pavlov, D. A.; Shenina, M. E.

2018-03-01

Nanosized films of stabilized zirconia with Au nanoparticles formed by implanting Au ions are studied by X-ray photoelectron spectroscopy and transmission electron microscopy. The effect of irradiation of films with Au ions and postimplantation annealing on the distribution of chemical elements and zirconium- containing ZrO x compounds over the depth of the films is studied. Based on the data on the dimensional shift of the Au 4 f photoelectron line, the average value of the nanoparticle size is determined.

Soft X-ray properties of Seyfert galaxies. I - Spectra

NASA Technical Reports Server (NTRS)

Kruper, J. S.; Canizares, C. R.; Urry, C. M.

1990-01-01

Results are presented from a study of soft X-ray spectra of 75 Seyfert galaxies observed by the Einstein Observatory IPC. The spectra in this sample (mostly high-luminosity Seyfert type 1s) are found to be consistent with a single power-law index alpha = 81. The AGN spectra observed with the IPC are compared with those from higher energy experiments, where AGN spectra have power law indices alpha = 0.7. It is found that the IPC spectra are systematically steeper than the HEAO 1 A-2 spectra of the same Seyfert galaxies, indicating a flattening toward higher energies.

X ray spectra of cataclysmic variables

NASA Technical Reports Server (NTRS)

Patterson, Joseph; Halpern, Jules

1990-01-01

X ray spectral parameters of cataclysmic variables observed with the 'Einstein' imaging proportional counter were determined by fitting an optically thin, thermal bremsstrahlung spectrum to the raw data. Most of the sources show temperatures of order a few keV, while a few sources exhibit harder spectra with temperatures in excess of 10 keV. Estimated 0.1 to 3.5 keV luminosities are generally in the range from 10(exp 30) to 10(exp 32) erg/sec. The results are consistent with the x rays originating in a disk/white dwarf boundary layer of non-magnetic systems, or in a hot, post-shock region in the accretion column of DQ Her stars, with a negligible contribution from the corona of the companion. In a few objects column densities were found that are unusually high for interstellar material. It was suggested that the absorption occurs in the system itself.

Characterization of thin films on the nanometer scale by Auger electron spectroscopy and X-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Powell, C. J.; Jablonski, A.; Werner, W. S. M.; Smekal, W.

2005-01-01

We describe two NIST databases that can be used to characterize thin films from Auger electron spectroscopy (AES) and X-ray photoelectron spectroscopy (XPS) measurements. First, the NIST Electron Effective-Attenuation-Length Database provides values of effective attenuation lengths (EALs) for user-specified materials and measurement conditions. The EALs differ from the corresponding inelastic mean free paths on account of elastic-scattering of the signal electrons. The database supplies "practical" EALs that can be used to determine overlayer-film thicknesses. Practical EALs are plotted as a function of film thickness, and an average value is shown for a user-selected thickness. The average practical EAL can be utilized as the "lambda parameter" to obtain film thicknesses from simple equations in which the effects of elastic-scattering are neglected. A single average practical EAL can generally be employed for a useful range of film thicknesses and for electron emission angles of up to about 60°. For larger emission angles, the practical EAL should be found for the particular conditions. Second, we describe a new NIST database for the Simulation of Electron Spectra for Surface Analysis (SESSA) to be released in 2004. This database provides data for many parameters needed in quantitative AES and XPS (e.g., excitation cross-sections, electron-scattering cross-sections, lineshapes, fluorescence yields, and backscattering factors). Relevant data for a user-specified experiment are automatically retrieved by a small expert system. In addition, Auger electron and photoelectron spectra can be simulated for layered samples. The simulated spectra, for layer compositions and thicknesses specified by the user, can be compared with measured spectra. The layer compositions and thicknesses can then be adjusted to find maximum consistency between simulated and measured spectra, and thus, provide more detailed characterizations of multilayer thin-film materials. SESSA can also

Monte Carlo simulation of x-ray spectra in diagnostic radiology and mammography using MCNP4C

NASA Astrophysics Data System (ADS)

Ay, M. R.; Shahriari, M.; Sarkar, S.; Adib, M.; Zaidi, H.

2004-11-01

The general purpose Monte Carlo N-particle radiation transport computer code (MCNP4C) was used for the simulation of x-ray spectra in diagnostic radiology and mammography. The electrons were transported until they slow down and stop in the target. Both bremsstrahlung and characteristic x-ray production were considered in this work. We focus on the simulation of various target/filter combinations to investigate the effect of tube voltage, target material and filter thickness on x-ray spectra in the diagnostic radiology and mammography energy ranges. The simulated x-ray spectra were compared with experimental measurements and spectra calculated by IPEM report number 78. In addition, the anode heel effect and off-axis x-ray spectra were assessed for different anode angles and target materials and the results were compared with EGS4-based Monte Carlo simulations and measured data. Quantitative evaluation of the differences between our Monte Carlo simulated and comparison spectra was performed using student's t-test statistical analysis. Generally, there is a good agreement between the simulated x-ray and comparison spectra, although there are systematic differences between the simulated and reference spectra especially in the K-characteristic x-rays intensity. Nevertheless, no statistically significant differences have been observed between IPEM spectra and the simulated spectra. It has been shown that the difference between MCNP simulated spectra and IPEM spectra in the low energy range is the result of the overestimation of characteristic photons following the normalization procedure. The transmission curves produced by MCNP4C have good agreement with the IPEM report especially for tube voltages of 50 kV and 80 kV. The systematic discrepancy for higher tube voltages is the result of systematic differences between the corresponding spectra.

Soft X-ray spectroscopy of nanoparticles by velocity map imaging

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kostko, O.; Xu, B.; Jacobs, M. I.

Velocity map imaging (VMI), a technique traditionally used to study chemical dynamics in the gas phase, is applied to study X-ray photoemission from aerosol nanoparticles. Soft X-rays from the Advanced Light Source synchrotron, probe a beam of nanoparticles, and the resulting photoelectrons are velocity mapped to obtain their kinetic energy distributions. A new design of the VMI spectrometer is described. The spectrometer is benchmarked by measuring vacuum ultraviolet photoemission from gas phase xenon and squalene nanoparticles followed by measurements using soft X-rays. It is demonstrated that the photoelectron distribution from X-ray irradiated squalene nanoparticles is dominated by secondary electrons. Bymore » scanning the photon energies and measuring the intensities of these secondary electrons, a near edge X-ray absorption fine structure (NEXAFS) spectrum is obtained. The NEXAFS technique is used to obtain spectra of aqueous nanoparticles at the oxygen K edge. By varying the position of the aqueous nanoparticle beam relative to the incident X-ray beam, evidence is presented such that the VMI technique allows for NEXAFS spectroscopy of water in different physical states. Finally, we discuss the possibility of applying VMI methods to probe liquids and solids via X-ray spectroscopy.« less

Soft X-ray spectroscopy of nanoparticles by velocity map imaging

DOE PAGES

Kostko, O.; Xu, B.; Jacobs, M. I.; ...

2017-05-05

Velocity map imaging (VMI), a technique traditionally used to study chemical dynamics in the gas phase, is applied to study X-ray photoemission from aerosol nanoparticles. Soft X-rays from the Advanced Light Source synchrotron, probe a beam of nanoparticles, and the resulting photoelectrons are velocity mapped to obtain their kinetic energy distributions. A new design of the VMI spectrometer is described. The spectrometer is benchmarked by measuring vacuum ultraviolet photoemission from gas phase xenon and squalene nanoparticles followed by measurements using soft X-rays. It is demonstrated that the photoelectron distribution from X-ray irradiated squalene nanoparticles is dominated by secondary electrons. Bymore » scanning the photon energies and measuring the intensities of these secondary electrons, a near edge X-ray absorption fine structure (NEXAFS) spectrum is obtained. The NEXAFS technique is used to obtain spectra of aqueous nanoparticles at the oxygen K edge. By varying the position of the aqueous nanoparticle beam relative to the incident X-ray beam, evidence is presented such that the VMI technique allows for NEXAFS spectroscopy of water in different physical states. Finally, we discuss the possibility of applying VMI methods to probe liquids and solids via X-ray spectroscopy.« less

Non-resonant inelastic x-ray scattering spectra of lithiated titanium oxides for battery applications

NASA Astrophysics Data System (ADS)

Nagle, Kenneth; Balasubramanian, Mali; Johnson, Christopher; Seidler, Gerald; Belharouak, Ilias

2008-03-01

Although lithium-ion batteries now see widespread use, there remain considerable questions concerning the basic solid state chemistry of both electrodes. Improved understanding of the local electronic structure, particularly the mechanism of charge transfer upon insertion and removal of lithium, could lead to innovation in battery design and improved performance. We present non-resonant inelastic x-ray scattering (NRIXS) spectra from 2p initial states in titanium; these spectra are among the first recorded for such states in a transition metal. These spectra were obtained using the lower energy resolution inelastic x-ray scattering (LERIX) spectrometer, which is capable of making simultaneous measurements at nineteen values of momentum transfer. We demonstrate the ability to obtain soft x-ray absorption-like information using a bulk-sensitive, hard x-ray technique. In addition, at high momentum transfer NRIXS provides information about non-dipole transitions that are inaccessible by soft x-ray spectroscopic methods.

Photoelectron interference fringes by super intense x-ray laser pulses

NASA Astrophysics Data System (ADS)

Toyota, Koudai; Tolstikhin, Oleg I.; Morishita, Toru; Watanabe, Shinichi

2009-09-01

The photoelectron spectra of H- produced by circularly polarized strong high-frequency laser pulses are theoretically studied. An oscillating substructure in the above-threshold ionization (ATI) peaks is observed, which extends the validity of the earlier findings in the 1D calculations [K. Toyota et al., Phys. Rev. A 76, 043418 (2007)] and 3D calculations for linear polarization [O. I. Tolstikhin, Phys. Rev. A 77, 032712 (2008)]. Its origin is due to an interference between a pair of photoelectron wave packets created in the rising and falling part of the pulse, which appears clearly in the stabilization regime.

Automated generation and ensemble-learned matching of X-ray absorption spectra

NASA Astrophysics Data System (ADS)

Zheng, Chen; Mathew, Kiran; Chen, Chi; Chen, Yiming; Tang, Hanmei; Dozier, Alan; Kas, Joshua J.; Vila, Fernando D.; Rehr, John J.; Piper, Louis F. J.; Persson, Kristin A.; Ong, Shyue Ping

2018-12-01

X-ray absorption spectroscopy (XAS) is a widely used materials characterization technique to determine oxidation states, coordination environment, and other local atomic structure information. Analysis of XAS relies on comparison of measured spectra to reliable reference spectra. However, existing databases of XAS spectra are highly limited both in terms of the number of reference spectra available as well as the breadth of chemistry coverage. In this work, we report the development of XASdb, a large database of computed reference XAS, and an Ensemble-Learned Spectra IdEntification (ELSIE) algorithm for the matching of spectra. XASdb currently hosts more than 800,000 K-edge X-ray absorption near-edge spectra (XANES) for over 40,000 materials from the open-science Materials Project database. We discuss a high-throughput automation framework for FEFF calculations, built on robust, rigorously benchmarked parameters. FEFF is a computer program uses a real-space Green's function approach to calculate X-ray absorption spectra. We will demonstrate that the ELSIE algorithm, which combines 33 weak "learners" comprising a set of preprocessing steps and a similarity metric, can achieve up to 84.2% accuracy in identifying the correct oxidation state and coordination environment of a test set of 19 K-edge XANES spectra encompassing a diverse range of chemistries and crystal structures. The XASdb with the ELSIE algorithm has been integrated into a web application in the Materials Project, providing an important new public resource for the analysis of XAS to all materials researchers. Finally, the ELSIE algorithm itself has been made available as part of veidt, an open source machine-learning library for materials science.

A New NIST Database for the Simulation of Electron Spectra for Surface Analysis (SESSA): Application to Angle-Resolved X-ray Photoelectron Spectroscopy of HfO2, ZrO2, HfSiO4, and ZrSiO4 Films on Silicon

NASA Astrophysics Data System (ADS)

Powell, C. J.; Smekal, W.; Werner, W. S. M.

2005-09-01

We describe a new NIST database for the Simulation of Electron Spectra for Surface Analysis (SESSA). This database provides data for the many parameters needed in quantitative Auger electron spectroscopy (AES) and X-ray photoelectron spectroscopy (XPS). In addition, AES and XPS spectra can be simulated for layered samples. The simulated spectra, for layer compositions and thicknesses specified by the user, can be compared with measured spectra. The layer compositions and thicknesses can then be adjusted to find maximum consistency between simulated and measured spectra. In this way, AES and XPS can provide more detailed characterization of multilayer thin-film materials. We report on the use of SESSA for determining the thicknesses of HfO2, ZrO2, HfSiO4, and ZrSiO4 films on Si by angle-resolved XPS. Practical effective attenuation lengths (EALs) have been computed from SESSA as a function of film thickness and photoelectron emission angle (i.e., to simulate the effects of tilting the sample). These EALs have been compared with similar values obtained from the NIST Electron Effective-Attenuation-Length Database (SRD 82). Generally good agreement was found between corresponding EAL values, but there were differences for film thicknesses less than the inelastic mean free path of the photoelectrons in the overlayer film. These differences are due to a simplifying approximation in the algorithm used to compute EALs in SRD 82. SESSA, with realistic cross sections for elastic and inelastic scattering in the film and substrate materials, is believed to provide more accurate EALs than SRD 82 for thin-film thickness measurements, particularly in applications where the film and substrate have different electron-scattering properties.

First-Principles Predictions of Near-Edge X-ray Absorption Fine Structure Spectra of Semiconducting Polymers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Su, Gregory M.; Patel, Shrayesh N.; Pemmaraju, C. D.

The electronic structure and molecular orientation of semiconducting polymers in thin films determine their ability to transport charge. Methods based on near-edge X-ray absorption fine structure (NEXAFS) spectroscopy can be used to probe both the electronic structure and microstructure of semiconducting polymers in both crystalline and amorphous films. However, it can be challenging to interpret NEXAFS spectra on the basis of experimental data alone, and accurate, predictive calculations are needed to complement experiments. Here, we show that first-principles density functional theory (DFT) can be used to model NEXAFS spectra of semiconducting polymers and to identify the nature of transitions inmore » complicated NEXAFS spectra. Core-level X-ray absorption spectra of a set of semiconducting polymers were calculated using the excited electron and core-hole (XCH) approach based on constrained-occupancy DFT. A comparison of calculations on model oligomers and periodic structures with experimental data revealed the requirements for accurate prediction of NEXAFS spectra of both conjugated homopolymers and donor–acceptor polymers. The NEXAFS spectra predicted by the XCH approach were applied to study molecular orientation in donor–acceptor polymers using experimental spectra and revealed the complexity of using carbon edge spectra in systems with large monomeric units. The XCH approach has sufficient accuracy in predicting experimental NEXAFS spectra of polymers that it should be considered for design and analysis of measurements using soft X-ray techniques, such as resonant soft X-ray scattering and scanning transmission X-ray microscopy.« less

Characterization of CuHal-intercalated carbon nanotubes with x-ray absorption spectroscopy combined with x-ray photoelectron and resonant photoemission spectroscopies

NASA Astrophysics Data System (ADS)

Brzhezinskaya, M.; Generalov, A.; Vinogdradov, A.; Eliseev, A.

2013-04-01

Encapsulated single-walled carbon nanotubes (SWCNTs) with inner channels filled by different compounds present the new class of composite materials. Such CNTs give opportunity to form 1D nanocrystals as well as quantum nanowires with new physical and chemical properties inside the tubes. The present study is aimed to characterize the possible chemical interaction between CuHal (Hal=I, Cl, Br) and SWCNTs in CuHal@SWCNTs and electronic structure of the latter using high-resolution near edge X-ray absorption fine structure (NEXAFS) spectroscopy combined with high-resolution X-ray photoelectron spectroscopy and resonant photoemission spectroscopy. The present study has shown that there is a chemical interaction between the filler and π-electron subsystem of CNTs which is accompanied by changes of the atomic and electronic structure of the filler during the encapsulating it inside CNTs.

Galactic and extragalactic hydrogen in the X-ray spectra of Gamma Ray Bursts

NASA Astrophysics Data System (ADS)

Rácz, I. I.; Bagoly, Z.; Tóth, L. V.; Balázs, L. G.; Horváth, I.; Pintér, S.

2017-07-01

Two types of emission can be observed from gamma-ray bursts (GRBs): the prompt emission from the central engine which can be observed in gamma or X-ray (as a low energy tail) and the afterglow from the environment in X-ray and at shorter frequencies. We examined the Swift XRT spectra with the XSPEC software. The correct estimation of the galactic interstellar medium is very important because we observe the host emission together with the galactic hydrogen absorption. We found that the estimated intrinsic hydrogen column density and the X-ray flux depend heavily on the redshift and the galactic foreground hydrogen. We also found that the initial parameters of the iteration and the cosmological parameters did not have much effect on the fitting result.

Relativistic Effects on Reflection X-ray Spectra of AGN

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Khee-Gan; /University Coll. London; Fuerst, Steven V.

2007-01-05

We have calculated the reflection component of the X-ray spectra of active galactic nuclei (AGN) and shown that they can be significantly modified by the relativistic motion of the accretion flow and various gravitational effects of the central black hole. The absorption edges in the reflection spectra suffer severe energy shifts and smearing. The degree of distortion depends on the system parameters, and the dependence is stronger for some parameters such as the inner radius of the accretion disk and the disk viewing inclination angles. The relativistic effects are significant and are observable. Improper treatment of the reflection component ofmore » the X-ray continuum in spectral fittings will give rise to spurious line-like features, which will mimic the fluorescent emission lines and mask the relativistic signatures of the lines.« less

Electronic structure of the dilute magnetic semiconductor G a1 -xM nxP from hard x-ray photoelectron spectroscopy and angle-resolved photoemission

NASA Astrophysics Data System (ADS)

Keqi, A.; Gehlmann, M.; Conti, G.; Nemšák, S.; Rattanachata, A.; Minár, J.; Plucinski, L.; Rault, J. E.; Rueff, J. P.; Scarpulla, M.; Hategan, M.; Pálsson, G. K.; Conlon, C.; Eiteneer, D.; Saw, A. Y.; Gray, A. X.; Kobayashi, K.; Ueda, S.; Dubon, O. D.; Schneider, C. M.; Fadley, C. S.

2018-04-01

We have investigated the electronic structure of the dilute magnetic semiconductor (DMS) G a0.98M n0.02P and compared it to that of an undoped GaP reference sample, using hard x-ray photoelectron spectroscopy (HXPS) and hard x-ray angle-resolved photoemission spectroscopy (HARPES) at energies of about 3 keV. We present experimental data, as well as theoretical calculations, to understand the role of the Mn dopant in the emergence of ferromagnetism in this material. Both core-level spectra and angle-resolved or angle-integrated valence spectra are discussed. In particular, the HARPES experimental data are compared to free-electron final-state model calculations and to more accurate one-step photoemission theory. The experimental results show differences between G a0.98M n0.02P and GaP in both angle-resolved and angle-integrated valence spectra. The G a0.98M n0.02P bands are broadened due to the presence of Mn impurities that disturb the long-range translational order of the host GaP crystal. Mn-induced changes of the electronic structure are observed over the entire valence band range, including the presence of a distinct impurity band close to the valence-band maximum of the DMS. These experimental results are in good agreement with the one-step photoemission calculations and a prior HARPES study of G a0.97M n0.03As and GaAs [Gray et al., Nat. Mater. 11, 957 (2012), 10.1038/nmat3450], demonstrating the strong similarity between these two materials. The Mn 2 p and 3 s core-level spectra also reveal an essentially identical state in doping both GaAs and GaP.

Modeling of the EUV and X-Ray Emission Spectra Induced by the Solar Winds Ions in the Heliosphere

NASA Technical Reports Server (NTRS)

Kharchenko, Vasili

2005-01-01

We have carried out investigation of the EUV and X-ray emission spectra induced in interaction between the Solar Wind (SW) and interstellar neutral gas. The spectra of most important SW ions have been computed for the charge-exchange mechanism of X-ray emission using new accurate spectroscopic data from recent laboratory measurements and theoretical calculations. Total spectra have been constructed as a sum of spectra induced in the charge-exchange collisions by individual O(exp q+), C(exp q+), N(exp q+), Ne(exp q+), Mg (exp q+) and Fe(exp q+) ions. Calculations have been performed for X-ray emission from the heliospheric hydrogen and helium gas. X-ray maps of the heliosphere have been computed. The power density of X-ray sources in the heliospheric ecliptic plane is shown for the H gas and for the He gas. Distances from the Sun (0,0) are given in AU. The helium cone is clear seen in the X-ray map of the charge-exchange emission induced by the solar wind. X-ray emission spectra detected by the Chandra X-ray telescope from the "dark" side of Moon has been identified as a X-ray background emission induced by the solar wind from the geocorona. Spectra and intensities of this charge-exchange X-rays have been compared with the heliospheric component of the X-ray background. Observations and modeling of the SW spectra induced from the geocorona indicate a strong presence of emission lines of highly charged oxygen ions. Anisotropy in distribution of heliospheric X-rays has been predicted and calculated for the regions of the fast and slow solar winds.

X-Ray Spectra from MHD Simulations of Accreting Black Holes

NASA Technical Reports Server (NTRS)

Schnittman, Jeremy D.; Noble, Scott C.; Krolik, Julian H.

2011-01-01

We present new global calculations of X-ray spectra from fully relativistic magneto-hydrodynamic (MHO) simulations of black hole (BH) accretion disks. With a self consistent radiative transfer code including Compton scattering and returning radiation, we can reproduce the predominant spectral features seen in decades of X-ray observations of stellar-mass BHs: a broad thermal peak around 1 keV, power-law continuum up to >100 keV, and a relativistically broadened iron fluorescent line. By varying the mass accretion rate, different spectral states naturally emerge: thermal-dominant, steep power-law, and low/hard. In addition to the spectral features, we briefly discuss applications to X-ray timing and polarization.

Energetic (above 60 eV) atmospheric photoelectrons

NASA Technical Reports Server (NTRS)

Winningham, J. D.; Decker, D. T.; Kozyra, J. U.; Nagy, A. F.; Jasperse, J. R.

1989-01-01

Data from low altitude plasma instrument (LAPI) on Dynamics Explorer 2 document a population of high-energy (up to 800 eV) atmospheric photoelectrons that has not been reported in the published literature. The source of these photoelectrons is postulated to be the soft X-ray portion of the whole sun spectrum. This conclusion is supported by sunrise-sunset characteristics that track those of the classical (below 60 eV) EUV-produced photoelectrons, and theoretical results from two models that incorporate the soft X-ray portion of the solar spectrum. The models include K-shell ionization effects and predict peaks in the photoelectron spectrum due to Auger electrons emitted from oxygen and nitrogen. The peak for nitrogen is observed as predicted, but the peak for oxygen is barely observable. Excellent quantitative agreement is achieved between theory and experiment by using reasonable adjustments to the few published soft X-ray spectra based on solar activity. The upflowing energetic photoelectrons provide a heretofore unknown source of electrons to the magnetosphere. They occur whenever and wherever the sun is up, that is, at all invariant latitudes. Their density is low, but they are steady and ubiquitous. If scattering and trapping occur on closed field lines, then photoelectrons could contribute as a significant particle source and thus represent a new facet of magnetosphere-ionosphere coupling.

X-ray photoelectron spectroscopy and atomic force microscopy characterization of the effects of etching Zn xCd 1- xTe surfaces

NASA Astrophysics Data System (ADS)

George, M. A.; Azoulay, M.; Jayatirtha, H. N.; Burger, A.; Collins, W. E.; Silberman, E.

1993-10-01

X-ray photoelectron spectroscopy (XPS) and atomic force microscopy (AFM) was used for the first time to characterize the chemical composition of modified surfaces of Zn xCd 1- xTe single crystals. These surface treatments were selected for their relevance to device preparation procedures. The XPS peaks indicated an increase of the tellurium and a depletion of the cadmium concentrations upon etching in bromine methanol solution. AFM revealed the formation of pronounced Te inclusions. Higher x values correlated with a decrease in residual bromine left on the surface, while cut and polished samples had higher oxide concentrations and increased bromination of the surface than cleaved samples.

X-ray Photoelectron Spectroscopy of Pyridinium-Based Ionic Liquids: Comparison to Imidazolium- and Pyrrolidinium-Based Analogues.

PubMed

Men, Shuang; Mitchell, Daniel S; Lovelock, Kevin R J; Licence, Peter

2015-07-20

We investigate eight 1-alkylpyridinium-based ionic liquids of the form [Cn Py][A] by using X-ray photoelectron spectroscopy (XPS). The electronic environment of each element of the ionic liquids is analyzed. In particular, a reliable fitting model is developed for the C 1s region that applies to each of the ionic liquids. This model allows the accurate charge correction of binding energies and the determination of reliable and reproducible binding energies for each ionic liquid. Shake-up/off phenomena are determinedfor both C 1s and N 1s spectra. The electronic interaction between cations and anions is investigated for both simple ionic liquids and an example of an ionic-liquid mixture; the effect of the anion on the electronic environment of the cation is also explored. Throughout the study, a detailed comparison is made between [C8 Py][A] and analogues including 1-octyl-1-methylpyrrolidinium- ([C8 C1 Pyrr][A]), and 1-octyl-3-methylimidazolium- ([C8 C1 Im][A]) based samples, where X is common to all ionic liquids. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Modeling and experimental investigation of x-ray spectra from a liquid metal anode x-ray tube

NASA Astrophysics Data System (ADS)

David, Bernd R.; Thran, Axel; Eckart, Rainer

2004-11-01

This paper presents simulated and measured spectra of a novel type of x-ray tube. The bremsstrahlung generating principle of this tube is based on the interaction of high energetic electrons with a turbulently flowing liquid metal separated from the vacuum by a thin window. We simulated the interaction of 50-150 keV electrons with liquid metal targets composed of the elements Ga, In, Sn, as well as the solid elements C, W and Re used for the electron windows. We obtained x-ray spectra and energy loss curves for various liquid metal/window combinations and thicknesses of the window material. In terms of optimum heat transport a thin diamond window in combination with the liquid metal GaInSn is the best suited system. If photon flux is the optimization criteria, thin tungsten/rhenium windows cooled by GaInSn should be preferred.

p-Type dopant incorporation and surface charge properties of catalyst-free GaN nanowires revealed by micro-Raman scattering and X-ray photoelectron spectroscopy.

PubMed

Wang, Q; Liu, X; Kibria, M G; Zhao, S; Nguyen, H P T; Li, K H; Mi, Z; Gonzalez, T; Andrews, M P

2014-09-07

Micro-Raman scattering and X-ray photoelectron spectroscopy were employed to investigate Mg-doped GaN nanowires. With the increase of Mg doping level, pronounced Mg-induced local vibrational modes were observed. The evolution of longitudinal optical phonon-plasmon coupled mode, together with detailed X-ray photoelectron spectroscopy studies, show that the near-surface region of nanowires can be transformed from weakly n-type to p-type with the increase of Mg doping.

GSFC Contributions to the NATO X-ray Astronomy Institute, Erice, July 1979. [X-ray spectra of supernova remants, galactic X-ray sources, active galactic nuclei, and clusters of galaxies

NASA Technical Reports Server (NTRS)

Holt, S. S.; Mushotzky, R. F.

1979-01-01

An overview of X-ray astronomical spectroscopy in general is presented and results obtained by HEAO 1 and 2 as well as earlier spacecraft are examined. Particular emphasis is given to the spectra of supernova remnants; galactic binary X-ray sources, cataclysmic variables, bulges, pulsars, and stars; the active nuclei of Seyfert 1 galaxy, BL Lac, and quasars; the diffuse X-ray background; and galactic clusters.

Lifetime-vibrational interference effects in resonantly excited x-ray emission spectra of CO

DOE Office of Scientific and Technical Information (OSTI.GOV)

Skytt, P.; Glans, P.; Gunnelin, K.

1997-04-01

The parity selection rule for resonant X-ray emission as demonstrated for O{sub 2} and N{sub 2} can be seen as an effect of interference between coherently excited degenerate localized core states. One system where the core state degeneracy is not exact but somewhat lifted was previously studied at ALS, namely the resonant X-ray emission of amino-substituted benzene (aniline). It was shown that the X-ray fluorescence spectrum resulting from excitation of the C1s at the site of the {open_quotes}aminocarbon{close_quotes} could be described in a picture separating the excitation and the emission processes, whereas the spectrum corresponding to the quasi-degenerate carbons couldmore » not. Thus, in this case it was necessary to take interference effects between the quasi-degenerate intermediate core excited states into account in order to obtain agreement between calculations and experiment. The different vibrational levels of core excited states in molecules have energy splittings which are of the same order of magnitude as the natural lifetime broadening of core excitations in the soft X-ray range. Therefore, lifetime-vibrational interference effects are likely to appear and influence the band shapes in resonant X-ray emission spectra. Lifetime-vibrational interference has been studied in non-resonant X-ray emission, and in Auger spectra. In this report the authors discuss results of selectively excited soft X-ray fluorescence spectra of molecules, where they focus on lifetime-interference effects appearing in the band shapes.« less

On the X-ray spectra of luminous, inhomogeneous accretion flows

NASA Astrophysics Data System (ADS)

Merloni, A.; Malzac, J.; Fabian, A. C.; Ross, R. R.

2006-08-01

We discuss the expected X-ray spectral and variability properties of black hole accretion discs at high luminosity, under the hypothesis that radiation-pressure-dominated discs are subject to violent clumping instabilities and, as a result, have a highly inhomogeneous two-phase structure. After deriving the full accretion disc solutions explicitly in terms of the parameters of the model, we study their radiative properties both with a simple two-zone model, treatable analytically, and with radiative transfer simulations which account simultaneously for energy balance and Comptonization in the hot phase, together with reflection, reprocessing, ionization and thermal balance in the cold phase. We show that, if not only the density, but also the heating rate within these flows is inhomogeneous, then complex reflection-dominated spectra can be obtained for a high enough covering fraction of the cold phase. In general, large reflection components in the observed X-ray spectra should be associated with strong soft excesses, resulting from the combined emission of ionized atomic emission lines. The variability properties of such systems are such that, even when contributing to a large fraction of the hard X-ray spectrum, the reflection component is less variable than the power-law-like emission originating from the hot Comptonizing phase, in agreement with what is observed in many Narrow Line Seyfert 1 galaxies and bright Seyfert 1. Our model falls within the family of those trying to explain the complex X-ray spectra of bright AGN with ionized reflection, but presents an alternative, specific, physically motivated, geometrical set-up for the complex multiphase structure of the inner regions of near-Eddington accretion flows.

A New NIST Database for the Simulation of Electron Spectra for Surface Analysis (SESSA): Application to Angle-Resolved X-ray Photoelectron Spectroscopy of HfO2, ZrO2, HfSiO4, and ZrSiO4 Films on Silicon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Powell, C.J.; Smekal, W.; Werner, W.S.M.

2005-09-09

We describe a new NIST database for the Simulation of Electron Spectra for Surface Analysis (SESSA). This database provides data for the many parameters needed in quantitative Auger electron spectroscopy (AES) and X-ray photoelectron spectroscopy (XPS). In addition, AES and XPS spectra can be simulated for layered samples. The simulated spectra, for layer compositions and thicknesses specified by the user, can be compared with measured spectra. The layer compositions and thicknesses can then be adjusted to find maximum consistency between simulated and measured spectra. In this way, AES and XPS can provide more detailed characterization of multilayer thin-film materials. Wemore » report on the use of SESSA for determining the thicknesses of HfO2, ZrO2, HfSiO4, and ZrSiO4 films on Si by angle-resolved XPS. Practical effective attenuation lengths (EALs) have been computed from SESSA as a function of film thickness and photoelectron emission angle (i.e., to simulate the effects of tilting the sample). These EALs have been compared with similar values obtained from the NIST Electron Effective-Attenuation-Length Database (SRD 82). Generally good agreement was found between corresponding EAL values, but there were differences for film thicknesses less than the inelastic mean free path of the photoelectrons in the overlayer film. These differences are due to a simplifying approximation in the algorithm used to compute EALs in SRD 82. SESSA, with realistic cross sections for elastic and inelastic scattering in the film and substrate materials, is believed to provide more accurate EALs than SRD 82 for thin-film thickness measurements, particularly in applications where the film and substrate have different electron-scattering properties.« less

Adsorption of 2-propanol on ice probed by ambient pressure X-ray photoelectron spectroscopy

DOE PAGES

Newberg, John T.; Bluhm, Hendrik

2015-08-18

The interaction of 2-propanol with ice was examined via ambient pressure X-ray photoelectron spectroscopy (APXPS), a surface sensitive technique that probes the adsorbed 2-propanol directly with submonolayer resolution. Isothermal uptake experiments were performed on vapor deposited ice at 227 K in the presence of the equilibrium water vapor pressure of 0.05 Torr and 2-propanol partial pressures ranging from 5 × 10 -5 to 2 × 10 -3 Torr. The C 1s APXPS spectra of adsorbed 2-propanol showed two characteristic peaks associated with the C OH alcohol group and C Me methyl groups in a 1 : 2 ratio, respectively. Coveragemore » increased with 2-propanol partial pressure and followed first order Langmuir kinetics with a Langmuir constant of K = 6.3 × 10 3 Torr -1. The 1 : 2 ratio of C OH : C Me remained constant with increasing coverage, indicating there is no chemical reaction upon adsorption. The observed Langmuir kinetics using APXPS is consistent with previous observations of other small chain alcohols via indirect adsorption methods using, e.g., Knudsen cell and coated wall flow tube reactors.« less

Measuring x-ray spectra of flash radiographic sources [PowerPoint

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gehring, Amanda Elizabeth; Espy, Michelle A.; Haines, Todd Joseph

2015-11-02

The x-ray spectra of flash radiographic sources are difficult to measure. The sources measured were Radiographic Integrated Test Stand-6 (370 rad at 1 m; 50 ns pulse) and Dual Axis Radiographic Hydrodynamic Test Facility (DARHT) (550 rad at 1 m; 50 ns pulse). Features of the Compton spectrometer are described, and spectra are shown. Additional slides present data on instrumental calibration.

X-Ray photoelectron diffraction and photoelectron holography as methods for investigating the local atomic structure of the surface of solids

NASA Astrophysics Data System (ADS)

Kuznetsov, M. V.; Ogorodnikov, I. I.; Vorokh, A. S.

2014-01-01

The state-of-the-art theory and experimental applications of X-ray photoelectron diffraction (XPD) and photoelectron holography (PH) are discussed. These methods are rapidly progressing and serve to examine the surface atomic structure of solids, including nanostructures formed on surfaces during adsorption of gases, epitaxial film growth, etc. The depth of analysis by these methods is several nanometres, which makes it possible to characterize the positions of atoms localized both on and beneath the surface. A remarkable feature of the XPD and PH methods is their sensitivity to the type of examined atoms and, in the case of high energy resolution, to the particular chemical form of the element under study. The data on experimental applications of XPD and PH to studies of various surface structures are analyzed and generalized. The bibliography includes 121 references.

Dynamical and Radiative Properties of X-Ray Pulsar Accretion Columns: Phase-averaged Spectra

NASA Astrophysics Data System (ADS)

West, Brent F.; Wolfram, Kenneth D.; Becker, Peter A.

2017-02-01

The availability of the unprecedented spectral resolution provided by modern X-ray observatories is opening up new areas for study involving the coupled formation of the continuum emission and the cyclotron absorption features in accretion-powered X-ray pulsar spectra. Previous research focusing on the dynamics and the associated formation of the observed spectra has largely been confined to the single-fluid model, in which the super-Eddington luminosity inside the column decelerates the flow to rest at the stellar surface, while the dynamical effect of gas pressure is ignored. In a companion paper, we have presented a detailed analysis of the hydrodynamic and thermodynamic structure of the accretion column obtained using a new self-consistent model that includes the effects of both gas and radiation pressures. In this paper, we explore the formation of the associated X-ray spectra using a rigorous photon transport equation that is consistent with the hydrodynamic and thermodynamic structure of the column. We use the new model to obtain phase-averaged spectra and partially occulted spectra for Her X-1, Cen X-3, and LMC X-4. We also use the new model to constrain the emission geometry, and compare the resulting parameters with those obtained using previously published models. Our model sheds new light on the structure of the column, the relationship between the ionized gas and the photons, the competition between diffusive and advective transport, and the magnitude of the energy-averaged cyclotron scattering cross-section.

High-energy X-ray spectra of Cygnus XR-1 observed from OSO 8

NASA Technical Reports Server (NTRS)

Dolan, J. F.; Crannell, C. J.; Dennis, B. R.; Frost, K. J.; Orwig, L. E.

1979-01-01

X-ray spectra of Cygnus XR-1 were measured with the scintillation spectrometer aboard the OSO 8 satellite during a period of one-and-one-half to three weeks in each of the years from 1975 to 1977. Typical spectra of the source between 15 and 250 keV are presented and the spectra are found to be well represented by a single power-law expression whose photon number spectral index is different for the two intensity states that were considered. The observed pivoting effect is consistent with two-temperature accretion disk models of the X-ray emitting region.

New Chandra observations of the jet in 3C273. 1. Softer X-ray than radio spectra and the X-ray emission mechanism

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jester, Sebastian; /Fermilab; Harris, D.E.

2006-05-01

The jet in 3C273 is a high-power quasar jet with radio, optical and X-ray emission whose size and brightness allow a detailed study of the emission processes acting in it. We present deep Chandra observations of this jet and analyze the spectral properties of the jet emission from radio through X-rays. We find that the X-ray spectra are significantly softer than the radio spectra in all regions of the bright part of the jet except for the first bright ''knot A'', ruling out a model in which the X-ray emission from the entire jet arises from beamed inverse-Compton scattering ofmore » cosmic microwave background photons in a single-zone jet flow. Within two-zone jet models, we find that a synchrotron origin for the jet's X-rays requires fewer additional assumptions than an inverse-Compton model, especially if velocity shear leads to efficient particle acceleration in jet flows.« less

Fortran Program for X-Ray Photoelectron Spectroscopy Data Reformatting

NASA Technical Reports Server (NTRS)

Abel, Phillip B.

1989-01-01

A FORTRAN program has been written for use on an IBM PC/XT or AT or compatible microcomputer (personal computer, PC) that converts a column of ASCII-format numbers into a binary-format file suitable for interactive analysis on a Digital Equipment Corporation (DEC) computer running the VGS-5000 Enhanced Data Processing (EDP) software package. The incompatible floating-point number representations of the two computers were compared, and a subroutine was created to correctly store floating-point numbers on the IBM PC, which can be directly read by the DEC computer. Any file transfer protocol having provision for binary data can be used to transmit the resulting file from the PC to the DEC machine. The data file header required by the EDP programs for an x ray photoelectron spectrum is also written to the file. The user is prompted for the relevant experimental parameters, which are then properly coded into the format used internally by all of the VGS-5000 series EDP packages.

Characterization of Colloidal Quantum Dot Ligand Exchange by X-ray Photoelectron Spectroscopy

NASA Astrophysics Data System (ADS)

Atewologun, Ayomide; Ge, Wangyao; Stiff-Roberts, Adrienne D.

2013-05-01

Colloidal quantum dots (CQDs) are chemically synthesized semiconductor nanoparticles with size-dependent wavelength tunability. Chemical synthesis of CQDs involves the attachment of long organic surface ligands to prevent aggregation; however, these ligands also impede charge transport. Therefore, it is beneficial to exchange longer surface ligands for shorter ones for optoelectronic devices. Typical characterization techniques used to analyze surface ligand exchange include Fourier-transform infrared spectroscopy, x-ray diffraction, transmission electron microscopy, and nuclear magnetic resonance spectroscopy, yet these techniques do not provide a simultaneously direct, quantitative, and sensitive method for evaluating surface ligands on CQDs. In contrast, x-ray photoelectron spectroscopy (XPS) can provide nanoscale sensitivity for quantitative analysis of CQD surface ligand exchange. A unique aspect of this work is that a fingerprint is identified for shorter surface ligands by resolving the regional XPS spectrum corresponding to different types of carbon bonds. In addition, a deposition technique known as resonant infrared matrix-assisted pulsed laser evaporation is used to improve the CQD film uniformity such that stronger XPS signals are obtained, enabling more accurate analysis of the ligand exchange process.

An accurate method for computer-generating tungsten anode x-ray spectra from 30 to 140 kV.

PubMed

Boone, J M; Seibert, J A

1997-11-01

A tungsten anode spectral model using interpolating polynomials (TASMIP) was used to compute x-ray spectra at 1 keV intervals over the range from 30 kV to 140 kV. The TASMIP is not semi-empirical and uses no physical assumptions regarding x-ray production, but rather interpolates measured constant potential x-ray spectra published by Fewell et al. [Handbook of Computed Tomography X-ray Spectra (U.S. Government Printing Office, Washington, D.C., 1981)]. X-ray output measurements (mR/mAs measured at 1 m) were made on a calibrated constant potential generator in our laboratory from 50 kV to 124 kV, and with 0-5 mm added aluminum filtration. The Fewell spectra were slightly modified (numerically hardened) and normalized based on the attenuation and output characteristics of a constant potential generator and metal-insert x-ray tube in our laboratory. Then, using the modified Fewell spectra of different kVs, the photon fluence phi at each 1 keV energy bin (E) over energies from 10 keV to 140 keV was characterized using polynomial functions of the form phi (E) = a0[E] + a1[E] kV + a2[E] kV2 + ... + a(n)[E] kVn. A total of 131 polynomial functions were used to calculate accurate x-ray spectra, each function requiring between two and four terms. The resulting TASMIP algorithm produced x-ray spectra that match both the quality and quantity characteristics of the x-ray system in our laboratory. For photon fluences above 10% of the peak fluence in the spectrum, the average percent difference (and standard deviation) between the modified Fewell spectra and the TASMIP photon fluence was -1.43% (3.8%) for the 50 kV spectrum, -0.89% (1.37%) for the 70 kV spectrum, and for the 80, 90, 100, 110, 120, 130 and 140 kV spectra, the mean differences between spectra were all less than 0.20% and the standard deviations were less than approximately 1.1%. The model was also extended to include the effects of generator-induced kV ripple. Finally, the x-ray photon fluence in the units of

Electron-positron pairs, Compton reflection, and the X-ray spectra of active galactic nuclei

NASA Technical Reports Server (NTRS)

Zdziarski, Andrzej A.; Ghisellini, Gabriele; George, Ian M.; Fabian, A. C.; Svensson, Roland; Done, Chris

1990-01-01

It is shown here that reprocessing of radiation fron nonthermal pair cascades by cold material in the central parts of active galactic nuclei (AGN) gives rise to X-ray and gamma-ray spectra that satisfy current observational constraints. An average 1-30 keV X-ray spectral index alpha(x) of about 0.7 in the compact range 30-300 is obtained for a wide range of Lorentz factors of the injected electrons. The gamma-ray spectra are steep, with alpha(gamma) about two, and satisfy the observational constraints. Radiation from pair cascades exhibits steep power law decreases in soft X-rays similar to those observed in AGN. The overall picture is consistent with AGN having an accretion disk which intercepts and reprocesses a substantial fraction of the nonthermal continuum incident upon it from above and below.

Site-specific recoil-induced effects on inner-shell photoionization of linear triatomic molecules: N 1 s photoelectron spectra of N2 O

NASA Astrophysics Data System (ADS)

Krivosenko, Yu. S.; Pavlychev, A. A.

2016-11-01

We investigate hard X-ray ionization of linear triatomic molecules accenting recoil-induced effects on the dynamics of molecular frame. This dynamics is studied within the two-springs and harmonic approximations. The mode-channel relationship connecting the excitations of vibrational, rotational and translational degrees of freedom with the Σ → Σ and Σ → Π photoionization channels is applied to compute the N 1s-1 photoelectron spectra of molecular N2 O for various photon energies. The distinct ionized-site- and molecular-orientation-specific changes in the vibration structure of the 1 s photoelectron lines of terminal and central nitrogen atoms are revealed and discussed.

Dynamical and Radiative Properties of X-Ray Pulsar Accretion Columns: Phase-averaged Spectra

DOE Office of Scientific and Technical Information (OSTI.GOV)

West, Brent F.; Wolfram, Kenneth D.; Becker, Peter A., E-mail: bwest@usna.edu, E-mail: kswolfram@gmail.com, E-mail: pbecker@gmu.edu

The availability of the unprecedented spectral resolution provided by modern X-ray observatories is opening up new areas for study involving the coupled formation of the continuum emission and the cyclotron absorption features in accretion-powered X-ray pulsar spectra. Previous research focusing on the dynamics and the associated formation of the observed spectra has largely been confined to the single-fluid model, in which the super-Eddington luminosity inside the column decelerates the flow to rest at the stellar surface, while the dynamical effect of gas pressure is ignored. In a companion paper, we have presented a detailed analysis of the hydrodynamic and thermodynamicmore » structure of the accretion column obtained using a new self-consistent model that includes the effects of both gas and radiation pressures. In this paper, we explore the formation of the associated X-ray spectra using a rigorous photon transport equation that is consistent with the hydrodynamic and thermodynamic structure of the column. We use the new model to obtain phase-averaged spectra and partially occulted spectra for Her X-1, Cen X-3, and LMC X-4. We also use the new model to constrain the emission geometry, and compare the resulting parameters with those obtained using previously published models. Our model sheds new light on the structure of the column, the relationship between the ionized gas and the photons, the competition between diffusive and advective transport, and the magnitude of the energy-averaged cyclotron scattering cross-section.« less

Understanding the Oxygen Evolution Reaction Mechanism on CoO x using Operando Ambient-Pressure X-ray Photoelectron Spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Favaro, Marco; Yang, Jinhui; Nappini, Silvia

Photoelectrochemical water splitting is a promising approach for renewable production of hydrogen from solar energy and requires interfacing advanced water-splitting catalysts with semiconductors. Understanding the mechanism of function of such electrocatalysts at the atomic scale and under realistic working conditions is a challenging, yet important, task for advancing efficient and stable function. This is particularly true for the case of oxygen evolution catalysts and, here, we study a highly active Co 3O 4/Co(OH) 2 biphasic electrocatalyst on Si by means of operando ambient-pressure X-ray photoelectron spectroscopy performed at the solid/liquid electrified interface. Spectral simulation and multiplet fitting reveal that themore » catalyst undergoes chemical-structural transformations as a function of the applied anodic potential, with complete conversion of the Co(OH) 2 and partial conversion of the spinel Co 3O 4 phases to CoO(OH) under precatalytic electrochemical conditions. Furthermore, we observe new spectral features in both Co 2p and O 1s core-level regions to emerge under oxygen evolution reaction conditions on CoO(OH). The operando photoelectron spectra support assignment of these newly observed features to highly active Co 4+ centers under catalytic conditions. Comparison of these results to those from a pure phase spinel Co 3O 4 catalyst supports this interpretation and reveals that the presence of Co(OH) 2 enhances catalytic activity by promoting transformations to CoO(OH). The direct investigation of electrified interfaces presented in this work can be extended to different materials under realistic catalytic conditions, thereby providing a powerful tool for mechanism discovery and an enabling capability for catalyst design.« less

Understanding the Oxygen Evolution Reaction Mechanism on CoO x using Operando Ambient-Pressure X-ray Photoelectron Spectroscopy

DOE PAGES

Favaro, Marco; Yang, Jinhui; Nappini, Silvia; ...

2017-06-09

Photoelectrochemical water splitting is a promising approach for renewable production of hydrogen from solar energy and requires interfacing advanced water-splitting catalysts with semiconductors. Understanding the mechanism of function of such electrocatalysts at the atomic scale and under realistic working conditions is a challenging, yet important, task for advancing efficient and stable function. This is particularly true for the case of oxygen evolution catalysts and, here, we study a highly active Co 3O 4/Co(OH) 2 biphasic electrocatalyst on Si by means of operando ambient-pressure X-ray photoelectron spectroscopy performed at the solid/liquid electrified interface. Spectral simulation and multiplet fitting reveal that themore » catalyst undergoes chemical-structural transformations as a function of the applied anodic potential, with complete conversion of the Co(OH) 2 and partial conversion of the spinel Co 3O 4 phases to CoO(OH) under precatalytic electrochemical conditions. Furthermore, we observe new spectral features in both Co 2p and O 1s core-level regions to emerge under oxygen evolution reaction conditions on CoO(OH). The operando photoelectron spectra support assignment of these newly observed features to highly active Co 4+ centers under catalytic conditions. Comparison of these results to those from a pure phase spinel Co 3O 4 catalyst supports this interpretation and reveals that the presence of Co(OH) 2 enhances catalytic activity by promoting transformations to CoO(OH). The direct investigation of electrified interfaces presented in this work can be extended to different materials under realistic catalytic conditions, thereby providing a powerful tool for mechanism discovery and an enabling capability for catalyst design.« less

Identifying Return-Current Losses in Flare Hard X-ray Spectra

NASA Technical Reports Server (NTRS)

Holman, Gordon D.

2011-01-01

I will report on theoretical studies and a data analysis program aimed at identifying and physically interpreting breaks in hard X-ray spectra resulting from return-current energy losses, as well as heating of the flare plasma resulting from these losses.

X-ray monitoring optical elements

DOEpatents

Stoupin, Stanislav; Shvydko, Yury; Katsoudas, John; Blank, Vladimir D.; Terentyev, Sergey A.

2016-12-27

An X-ray article and method for analyzing hard X-rays which have interacted with a test system. The X-ray article is operative to diffract or otherwise process X-rays from an input X-ray beam which have interacted with the test system and at the same time provide an electrical circuit adapted to collect photoelectrons emitted from an X-ray optical element of the X-ray article to analyze features of the test system.

In situ study of an oxidation reaction on a Pt/C electrode by ambient pressure hard X-ray photoelectron spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Takagi, Yasumasa, E-mail: ytakagi@ims.ac.jp; Uemura, Yohei; Yokoyama, Toshihiko

2014-09-29

We have constructed an ambient pressure X-ray photoelectron spectroscopy instrument that uses hard X-ray radiation at the high-performance undulator beamline BL36XU of SPring-8. The dependence of the Au 4f peak intensity from Au foil on the ambient N{sub 2} pressure was measured. At a photon energy of 7.94 keV, the Au 4f peak intensity maintained 40% at 3000 Pa compared with that at high vacuum. We designed a polymer electrolyte fuel cell that allows us to perform X-ray photoelectron spectroscopy measurements of an electrode under working conditions. The oxidized Pt peaks were observed in the Pt 3d{sub 5/2} level of Pt nanoparticlesmore » in the cathode, and the peaks clearly depended on the applied voltage between the anode and cathode. Our apparatus can be applied as a valuable in situ tool for the investigation of the electronic states and adsorbed species of polymer electrolyte fuel cell electrode catalysts under the reaction conditions.« less

Normal incidence X-ray telescope power spectra of X-ray emission from solar active regions. I - Observations. II - Theory

NASA Technical Reports Server (NTRS)

Gomez, Daniel O.; Martens, Petrus C. H.; Golub, Leon

1993-01-01

Fourier analysis is applied to very high resolution image of coronal active regions obtained by the Normal Incidence X-Ray Telescope is used to find a broad isotropic power-law spectrum of the spatial distribution of soft X-ray intensities. Magnetic structures of all sizes are present down to the resolution limit of the instrument. Power spectra for the X-ray intensities of a sample of topologically different active regions are found which fall off with increasing wavenumber as 1/k-cubed. A model is presented that relates the basic features of coronal magnetic fluctuations to the subphotospheric hydrodynamic turbulence that generates them. The model is used to find a theoretical power spectrum for the X-ray intensity which falls off with increasing wavenumber as 1/k-cubed. The implications of a turbulent regime in active regions are discussed.

A wavelet analysis for the X-ray absorption spectra of molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Penfold, T. J.; Ecole polytechnique Federale de Lausanne, Laboratoire de chimie et biochimie computationnelles, ISIC, FSB-BCH, CH-1015 Lausanne; SwissFEL, Paul Scherrer Inst, CH-5232 Villigen

2013-01-07

We present a Wavelet transform analysis for the X-ray absorption spectra of molecules. In contrast to the traditionally used Fourier transform approach, this analysis yields a 2D correlation plot in both R- and k-space. As a consequence, it is possible to distinguish between different scattering pathways at the same distance from the absorbing atom and between the contributions of single and multiple scattering events, making an unambiguous assignment of the fine structure oscillations for complex systems possible. We apply this to two previously studied transition metal complexes, namely iron hexacyanide in both its ferric and ferrous form, and a rheniummore » diimine complex, [ReX(CO){sub 3}(bpy)], where X = Br, Cl, or ethyl pyridine (Etpy). Our results demonstrate the potential advantages of using this approach and they highlight the importance of multiple scattering, and specifically the focusing phenomenon to the extended X-ray absorption fine structure (EXAFS) spectra of these complexes. We also shed light on the low sensitivity of the EXAFS spectrum to the Re-X scattering pathway.« less

The Effects of Low- and High-Energy Cutoffs on Solar Flare Microwave and Hard X-Ray Spectra

NASA Technical Reports Server (NTRS)

Holman, G. D.; Oegerle, William (Technical Monitor)

2002-01-01

Microwave and hard x-ray spectra provide crucial information about energetic electrons and their environment in solar flares. These spectra are becoming better determined with the Owens Valley Solar Array (OVSA) and the recent launch of the Ramaty High Energy Solar Spectroscopic Imager (RHESSI). The proposed Frequency Agile Solar Radiotelescope (FASR) promises even greater advances in radio observations of solar flares. Both microwave and hard x-ray spectra are sensitive to cutoffs in the electron distribution function. The determination of the high-energy cutoff from these spectra establishes the highest electron energies produced by the acceleration mechanism, while determination of the low-energy cutoff is crucial to establishing the total energy in accelerated electrons. This paper will show computations of the effects of both high- and low-energy cutoffs on microwave and hard x-ray spectra. The optically thick portion of a microwave spectrum is enhanced and smoothed by a low-energy cutoff, while a hard x-ray spectrum is flattened below the cutoff energy. A high-energy cutoff steepens the microwave spectrum and increases the wavelength at which the spectrum peaks, while the hard x-ray spectrum begins to steepen at photon energies roughly an order of magnitude below the electron cutoff energy. This work discusses how flare microwave and hard x-ray spectra can be analyzed together to determine these electron cutoff energies. This work is supported in part by the NASA Sun-Earth Connection Program.

Investigation of the surface composition of electrodeposited black chromium by X-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Survilienė, S.; Češūnienė, A.; Jasulaitienė, V.; Jurevičiūtė, I.

2015-01-01

The paper reviews black chromium electrodeposited from a trivalent chromium bath containing ZnO as a second main component. The chemical compositions of the top layers of the black chromium coatings were studied by the X-ray photoelectron spectroscopy method. The surface of black chromium was found to be almost entirely covered with organic substances. To gain information on the state of each element in the deposit bulk, the layer-by-layer etching of the black chromium surface with argon gas was used. Analysis of XPS spectra has shown that the top layers of black chromium without zinc are composed of various Cr(III) components, organic substances and metallic Cr, whereas metallic Cr is almost absent in black chromium containing some amount of Zn(II) compounds. The ratios of metal/oxide phases were found to be 10/27 and 2/28 for black chromium without and with zinc, respectively. It has been determined that owing to the presence of ZnO in the Cr(III) bath, the percentage of metallic chromium is substantially reduced in black chromium which is quite important for good solar selective characteristics of the coating. The results confirm some of earlier observations and provide new information on the composition of the near-surface layers.

Second International Workshop on Ambient Pressure X-ray Photoelectron Spectroscopy

DOE PAGES

Bluhm, Hendrik; Crumlin, Ethan J.

2016-05-03

The Second International Workshop on Ambient Pressure X-ray Photoelectron Spectroscopy (APXPS) was held at Lawrence Berkeley National Laboratory (LBNL) in Berkeley, CA, from December 7-9, 2015. It brought together more than 100 participants from 17 countries. The workshop followed the inaugural meeting at the French synchrotron SOLEIL in December 2014, which was organized by François Rochet. The strong interest in these workshops reflects the growth of the APXPS community over the last decade, with instruments now operational at more than 12 synchrotrons around the world (see SRN, Vol. 27, No. 2, pp. 14–23 (2014)), and a steady increase in themore » number of laboratory instruments. Finally, APXPS has established itself as an important method for the investigation of surfaces and interfaces under in situ and operando conditions, including liquid/vapor and liquid/solid interfaces.« less

GEMS X-ray Polarimeter Performance Simulations

NASA Technical Reports Server (NTRS)

Baumgartner, Wayne H.; Strohmayer, Tod; Kallman, Tim; Black, J. Kevin; Hill, Joanne; Swank, Jean

2012-01-01

The Gravity and Extreme Magnetism Small explorer (GEMS) is an X-ray polarization telescope selected as a NASA small explorer satellite mission. The X-ray Polarimeter on GEMS uses a Time Projection Chamber gas proportional counter to measure the polarization of astrophysical X-rays in the 2-10 keV band by sensing the direction of the track of the primary photoelectron excited by the incident X-ray. We have simulated the expected sensitivity of the polarimeter to polarized X-rays. We use the simulation package Penelope to model the physics of the interaction of the initial photoelectron with the detector gas and to determine the distribution of charge deposited in the detector volume. We then model the charge diffusion in the detector,and produce simulated track images. Within the track reconstruction algorithm we apply cuts on the track shape and focus on the initial photoelectron direction in order to maximize the overall sensitivity of the instrument, using this technique we have predicted instrument modulation factors nu(sub 100) for 100% polarized X-rays ranging from 10% to over 60% across the 2-10 keV X-ray band. We also discuss the simulation program used to develop and model some of the algorithms used for triggering, and energy measurement of events in the polarimeter.

Summary: Update to ASTM guide E 1523 to charge control and charge referencing techniques in x-ray photoelectron spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baer, D.R.

2005-05-01

An updated version of the American Society for Testing and Materials (ASTM) guide E 1523 to the methods to charge control and charge referencing techniques in x-ray photoelectron spectroscopy has been released by ASTM [Annual Book of ASTM Standards Surface Analysis (American Society for Testing and Materials, West Conshohocken, PA, 2004), Vol. 03.06]. The guide is meant to acquaint x-ray photoelectron spectroscopy (XPS) users with the various charge control and charge referencing techniques that are and have been used in the acquisition and interpretation of XPS data from surfaces of insulating specimens. The current guide has been expanded to includemore » new references as well as recommendations for reporting information on charge control and charge referencing. The previous version of the document had been published in 1997 [D. R. Baer and K. D. Bomben, J. Vac. Sci. Technol. A 16, 754 (1998)].« less

Self-interaction-corrected time-dependent density-functional-theory calculations of x-ray-absorption spectra

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tu, Guangde; Rinkevicius, Zilvinas; Vahtras, Olav

We outline an approach within time-dependent density functional theory that predicts x-ray spectra on an absolute scale. The approach rests on a recent formulation of the resonant-convergent first-order polarization propagator [P. Norman et al., J. Chem. Phys. 123, 194103 (2005)] and corrects for the self-interaction energy of the core orbital. This polarization propagator approach makes it possible to directly calculate the x-ray absorption cross section at a particular frequency without explicitly addressing the excited-state spectrum. The self-interaction correction for the employed density functional accounts for an energy shift of the spectrum, and fully correlated absolute-scale x-ray spectra are thereby obtainedmore » based solely on optimization of the electronic ground state. The procedure is benchmarked against experimental spectra of a set of small organic molecules at the carbon, nitrogen, and oxygen K edges.« less

Soft X-ray spectroscopy of transition metal compounds: a theoretical perspective

NASA Astrophysics Data System (ADS)

Bokarev, S. I.; Hilal, R.; Aziz, S. G.; Kühn, O.

2017-01-01

To date, X-ray spectroscopy has become a routine tool that can reveal highly local and element-specific information on the electronic structure of atoms in complex environments. Here, we report on the development of an efficient and versatile theoretical methodology for the treatment of soft X-ray spectra of transition metal compounds based on the multi-configurational self-consistent field electronic structure theory. A special focus is put on the L-edge photon-in/photon-out and photon-in/electron-out processes, i.e. X-ray absorption, resonant inelastic scattering, partial fluorescence yield, and photoelectron spectroscopy, all treated on the same theoretical footing. The investigated systems range from small prototypical coordination compounds and catalysts to aggregates of biomolecules.

X-ray photoelectron spectroscopy study of excimer laser treated alumina films

NASA Astrophysics Data System (ADS)

Georgiev, D. G.; Kolev, K.; Laude, L. D.; Mednikarov, B.; Starbov, N.

1998-01-01

Amorphous alumina layers are deposited on a single crystal Si substrate by a e-gun evaporation technique. These films are then thermally annealed in oxygen to be crystallized and, further, irradiated with an excimer laser beam. At each stage of the film preparation, an x-ray photoelectron spectroscopy analysis is performed at the film surface and in depth, upon ion beam grinding. Results give evidence for the formation of an aluminosilicate upon thermal annealing of the film in oxygen. At the surface itself, this compound is observed to decompose upon excimer laser irradiation at energy densities exceeding 1.75 J/cm2, giving rise to free Si atoms and SiO2, however with complete disappearance of Al atoms. Model photochemical reactions are proposed to explain such transformations.

Band bending at magnetic Ni/Ge(001) interface investigated by X-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Bocîrnea, Amelia Elena; Tănase, Liviu Cristian; Costescu, Ruxandra Maria; Apostol, Nicoleta Georgiana; Teodorescu, Cristian Mihail

2017-12-01

We report the molecular beam epitaxy growth of Ni on a clean Ge(001) surface with an intermediate NiGe layer forming at the interface at room temperature. The crystallinity of the substrate is lost after the deposition of more than 2 Ni monolayers. The Schottky barrier formation is investigated by X-ray photoelectron spectroscopy. The method allows us to infer a 0.39-0.45 eV band bending at the interface between the compound and Ge(001). Magneto-optical Kerr effect measurements were conclusive in detecting the ferromagnetic ordering of Ni outermost layers.

Valence band offset of β-Ga2O3/wurtzite GaN heterostructure measured by X-ray photoelectron spectroscopy.

PubMed

Wei, Wei; Qin, Zhixin; Fan, Shunfei; Li, Zhiwei; Shi, Kai; Zhu, Qinsheng; Zhang, Guoyi

2012-10-10

A sample of the β-Ga2O3/wurtzite GaN heterostructure has been grown by dry thermal oxidation of GaN on a sapphire substrate. X-ray diffraction measurements show that the β-Ga2O3 layer was formed epitaxially on GaN. The valence band offset of the β-Ga2O3/wurtzite GaN heterostructure is measured by X-ray photoelectron spectroscopy. It is demonstrated that the valence band of the β-Ga2O3/GaN structure is 1.40 ± 0.08 eV.

Effects of phonon broadening on x-ray near-edge spectra in molecular crystals

NASA Astrophysics Data System (ADS)

Vinson, John; Jach, Terrence; Elam, Tim; Denlinger, Jonathon

2014-03-01

Calculations of near-edge x-ray spectra are often carried out using the average atomic coordinates from x-ray or neutron scattering experiments or from density functional theory (DFT) energy minimization. This neglects disorder from thermal and zero-point vibrations. Here we look at the nitrogen K-edge of ammonium chloride and ammonium nitrate, comparing Bethe-Salpeter calculations of absorption and fluorescence to experiment. We find that intra-molecular vibrational effects lead to significant, non-uniform broadening of the spectra, and that for some features zero-point motion is the primary source of the observed shape.

Spectra of black hole accretion models of ultraluminous X-ray sources

NASA Astrophysics Data System (ADS)

Narayan, Ramesh; Sa̧dowski, Aleksander; Soria, Roberto

2017-08-01

We present general relativistic radiation magnetohydrodynamics simulations of super-Eddington accretion on a 10 M⊙ black hole. We consider a range of mass accretion rates, black hole spins and magnetic field configurations. We compute the spectra and images of the models as a function of viewing angle and compare them with the observed properties of ultraluminous X-ray sources (ULXs). The models easily produce apparent luminosities in excess of 1040 erg s-1 for pole-on observers. However, the angle-integrated radiative luminosities rarely exceed 2.5 × 1039 erg s-1 even for mass accretion rates of tens of Eddington. The systems are thus radiatively inefficient, though they are energetically efficient when the energy output in winds and jets is also counted. The simulated models reproduce the main empirical types of spectra - disc-like, supersoft, soft, hard - observed in ultraluminous X-ray sources (ULXs). The magnetic field configuration, whether 'standard and normal evolution' (SANE) or 'magnetically arrested disc' (MAD), has a strong effect on the results. In SANE models, the X-ray spectral hardness is almost independent of accretion rate, but decreases steeply with increasing inclination. MAD models with non-spinning black holes produce significantly softer spectra at higher values of \\dot{M}, even at low inclinations. MAD models with rapidly spinning black holes are unique. They are radiatively efficient (efficiency factor ˜10-20 per cent), superefficient when the mechanical energy output is also included (70 per cent) and produce hard blazar-like spectra. In all models, the emission shows strong geometrical beaming, which disagrees with the more isotropic illumination favoured by observations of ULX bubbles.

The average X-ray/gamma-ray spectra of Seyfert galaxies from Ginga and OSSE and the origin of the cosmic X-ray background

NASA Technical Reports Server (NTRS)

Zdziarski, Andrzej A.; Johnson, W. Neil; Done, Chris; Smith, David; Mcnaron-Brown, Kellie

1995-01-01

We have obtained the first average 2-500 keV spectra of Seyfert galaxies, using the data from Ginga and Compton Gamma-Ray Observatory's (CGRO) Oriented Scintillation Spectrometer Experiment (OSSE). Our sample contains three classes of objects with markedly different spectra: radio-quiet Seyfert 1's and 2's, and radio-loud Seyfert 1's. The average radio-quiet Seyfert 1 spectrum is well-fitted by a power law continuum with the energy spectral index alpha approximately equals 0.9, a Compton reflection component corresponding to a approximately 2 pi covering solid angle, and ionized absorption. There is a high-energy cutoff in the incident power law continuum: the e-folding energy is E(sub c) approximately equals 0.6(sup +0.8 sub -0.3) MeV. The simplest model that describes this spectrum is Comptonization in a relativistic optically-thin thermal corona above the surface of an accretion disk. Radio-quiet Seyfert 2's show strong netural absorption, and there is an indication that their X-ray power laws are intrinsically harder. Finally, the radio-loud Seyfert spectrum has alpha approximately equals 0.7, moderate neutral absorption E(sub C) = 0.4(sup +0.7 sub -0.2) MeV, and no or little Compton reflection. This is incompatible with the radio-quiet Seyfert 1 spectrum, and probably indicating that the X-rays are beamed away from the accretion disk in these objects. The average spectra of Seyferts integrated over redshift with a power-law evolution can explain the hard X-ray spectrum of the cosmic background.

Accounting for nanometer-thick adventitious carbon contamination in X-ray absorption spectra of carbon-based materials.

PubMed

Mangolini, Filippo; McClimon, J Brandon; Rose, Franck; Carpick, Robert W

2014-12-16

Near-edge X-ray absorption fine structure (NEXAFS) spectroscopy is a powerful technique for characterizing the composition and bonding state of nanoscale materials and the top few nanometers of bulk and thin film specimens. When coupled with imaging methods like photoemission electron microscopy, it enables chemical imaging of materials with nanometer-scale lateral spatial resolution. However, analysis of NEXAFS spectra is often performed under the assumption of structural and compositional homogeneity within the nanometer-scale depth probed by this technique. This assumption can introduce large errors when analyzing the vast majority of solid surfaces due to the presence of complex surface and near-surface structures such as oxides and contamination layers. An analytical methodology is presented for removing the contribution of these nanoscale overlayers from NEXAFS spectra of two-layered systems to provide a corrected photoabsorption spectrum of the substrate. This method relies on the subtraction of the NEXAFS spectrum of the overlayer adsorbed on a reference surface from the spectrum of the two-layer system under investigation, where the thickness of the overlayer is independently determined by X-ray photoelectron spectroscopy (XPS). This approach is applied to NEXAFS data acquired for one of the most challenging cases: air-exposed hard carbon-based materials with adventitious carbon contamination from ambient exposure. The contribution of the adventitious carbon was removed from the as-acquired spectra of ultrananocrystalline diamond (UNCD) and hydrogenated amorphous carbon (a-C:H) to determine the intrinsic photoabsorption NEXAFS spectra of these materials. The method alters the calculated fraction of sp(2)-hybridized carbon from 5 to 20% and reveals that the adventitious contamination can be described as a layer containing carbon and oxygen ([O]/[C] = 0.11 ± 0.02) with a thickness of 0.6 ± 0.2 nm and a fraction of sp(2)-bonded carbon of 0.19 ± 0.03. This

Spectroscopic analysis of solar and cosmic X-ray spectra. 1: The nature of cosmic X-ray spectra and proposed analytical techniques

NASA Technical Reports Server (NTRS)

Walker, A. B. C., Jr.

1975-01-01

Techniques for the study of the solar corona are reviewed as an introduction to a discussion of modifications required for the study of cosmic sources. Spectroscopic analysis of individual sources and the interstellar medium is considered. The latter was studied via analysis of its effect on the spectra of selected individual sources. The effects of various characteristics of the ISM, including the presence of grains, molecules, and ionization, are first discussed, and the development of ISM models is described. The expected spectral structure of individual cosmic sources is then reviewed with emphasis on supernovae remnants and binary X-ray sources. The observational and analytical requirements imposed by the characteristics of these sources are identified, and prospects for the analysis of abundances and the study of physical parameters within them are assessed. Prospects for the spectroscopic study of other classes of X-ray sources are also discussed.

Catalytic Properties of Surfaces Sites on Metal Oxides and Their Characterization by X-Ray Photoelectron Spectroscopy

DTIC Science & Technology

1974-01-01

gas now supplies one third of our 9 national energy needs and its use is the fastest growing of all fossil fuels , conversion of coal to...the possibilities of profiling oxidation states and to gain further insight into the mechanism of the bombarding process . (2) Application of ESCA to...the surface sites—which will be measured using x-ray photoelectron spectroscopy. This technique has general applicability to a large atttibM of

Filter-fluorescer measurement of low-voltage simulator x-ray energy spectra

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baldwin, G.T.; Craven, R.E.

X-ray energy spectra of the Maxwell Laboratories MBS and Physics International Pulserad 737 were measured using an eight-channel filter-fluorescer array. The PHOSCAT computer code was used to calculate channel response functions, and the UFO code to unfold spectrum.

Comparison of hard X-ray spectra obtained by spectrometers on Hinotori and SMM and detection of 'superhot' component

NASA Technical Reports Server (NTRS)

Nitta, Nariaki

1988-01-01

Hard X-ray spectra in solar flares obtained by the broadband spectrometers aboard Hinotori and SMM are compared. Within the uncertainty brought about by assuming the typical energy of the background X-rays, spectra by the Hinotori spectrometer are usually consistent with those by the SMM spectrometer for flares in 1981. On the contrary, flares in 1982 persistently show 20-50-percent higher flux by Hinotori than by SMM. If this discrepancy is entirely attributable to errors in the calibration of energy ranges, the errors would be about 10 percent. Despite such a discrepancy in absolute flux, in the the decay phase of one flare, spectra revealed a hard X-ray component (probably a 'superhot' component) that could be explained neither by emission from a plasma at about 2 x 10 to the 7th K nor by a nonthermal power-law component. Imaging observations during this period show hard X-ray emission nearly cospatial with soft X-ray emission, in contrast with earlier times at which hard and soft X-rays come from different places.

Renner-Teller effects in the photoelectron spectra of CNC, CCN, and HCCN.

PubMed

Coudert, Laurent H; Gans, Bérenger; Garcia, Gustavo A; Loison, Jean-Christophe

2018-02-07

The line intensity of photoelectron spectra when either the neutral or cationic species display a Renner-Teller coupling is derived and applied to the modeling of the photoelectron spectra of CNC, CCN, and HCCN. The rovibronic energy levels of these three radicals and of their cations are investigated starting from ab initio results. A model treating simultaneously the bending mode and the overall rotation is developed to deal with the quasilinearity problem in CNC + , CCN + , and HCCN and accounts for the large amplitude nature of their bending mode. This model is extended to treat the Renner-Teller coupling in CNC, CCN, and HCCN + . Based on the derived photoelectron line intensity, the photoelectron spectra of all three molecules are calculated and compared to the experimental ones.

X-ray natural widths, level widths and Coster-Kronig transition probabilities

NASA Astrophysics Data System (ADS)

Papp, T.; Campbell, J. L.; Varga, D.

1997-01-01

A critical review is given for the K-N7 atomic level widths. The experimental level widths were collected from x-ray photoelectron spectroscopy (XPS), x-ray emission spectroscopy (XES), x-ray spectra fluoresced by synchrotron radiation, and photoelectrons from x-ray absorption (PAX). There are only limited atomic number ranges for a few atomic levels where data are available from more than one source. Generally the experimental level widths have large scatter compared to the reported error bars. The experimental data are compared with the recent tabulation of Perkins et al. and of Ohno et al. Ohno et al. performed a many body approach calculation for limited atomic number ranges and have obtained reasonable agreement with the experimental data. Perkins et al. presented a tabulation covering the K-Q1 shells of all atoms, based on extensions of the Scofield calculations for radiative rates and extensions of the Chen calculations for non-radiative rates. The experimental data are in disagreement with this tabulation, in excess of a factor of two in some cases. A short introduction to the experimental Coster-Kronig transition probabilities is presented. It is our opinion that the different experimental approaches result in systematically different experimental data.

Local X-ray magnetic circular dichroism study of Fe/Cu(111) using a tunneling smart tip

PubMed Central

DiLullo, Andrew; Shirato, Nozomi; Cummings, Marvin; Kersell, Heath; Chang, Hao; Rosenmann, Daniel; Miller, Dean; Freeland, John W.; Hla, Saw-Wai; Rose, Volker

2016-01-01

Localized spectroscopy with simultaneous topographic, elemental and magnetic information is presented. A synchrotron X-ray scanning tunneling microscope has been employed for the local study of the X-ray magnetic circular dichroism at the Fe L 2,3-edges of a thin iron film grown on Cu(111). Polarization-dependent X-ray absorption spectra have been obtained through a tunneling smart tip that serves as a photoelectron detector. In contrast to conventional spin-polarized scanning tunneling microscopy, X-ray excitations provide magnetic contrast even with a non-magnetic tip. Intensity variations in the photoexcited tip current point to chemical variations within a single magnetic Fe domain. PMID:26917146

Local X-ray magnetic circular dichroism study of Fe/Cu(111) using a tunneling smart tip

DOE PAGES

DiLullo, Andrew; Shirato, Nozomi; Cummings, Marvin; ...

2016-01-28

Localized spectroscopy with simultaneous topographic, elemental and magnetic information is presented. A synchrotron X-ray scanning tunneling microscope has been employed for the local study of the X-ray magnetic circular dichroism at the FeL 2,3-edges of a thin iron film grown on Cu(111). Polarization-dependent X-ray absorption spectra have been obtained through a tunneling smart tip that serves as a photoelectron detector. In contrast to conventional spin-polarized scanning tunneling microscopy, X-ray excitations provide magnetic contrast even with a non-magnetic tip. Intensity variations in the photoexcited tip current point to chemical variations within a single magnetic Fe domain.

Local X-ray magnetic circular dichroism study of Fe/Cu(111) using a tunneling smart tip.

PubMed

DiLullo, Andrew; Shirato, Nozomi; Cummings, Marvin; Kersell, Heath; Chang, Hao; Rosenmann, Daniel; Miller, Dean; Freeland, John W; Hla, Saw-Wai; Rose, Volker

2016-03-01

Localized spectroscopy with simultaneous topographic, elemental and magnetic information is presented. A synchrotron X-ray scanning tunneling microscope has been employed for the local study of the X-ray magnetic circular dichroism at the Fe L2,3-edges of a thin iron film grown on Cu(111). Polarization-dependent X-ray absorption spectra have been obtained through a tunneling smart tip that serves as a photoelectron detector. In contrast to conventional spin-polarized scanning tunneling microscopy, X-ray excitations provide magnetic contrast even with a non-magnetic tip. Intensity variations in the photoexcited tip current point to chemical variations within a single magnetic Fe domain.

Electronic structure of ZrX2 (X = Se, Te)

NASA Astrophysics Data System (ADS)

Shkvarin, A. S.; Merentsov, A. I.; Shkvarina, E. G.; Yarmoshenko, Yu. M.; Píš, I.; Nappini, S.; Titov, A. N.

2018-03-01

The electronic structure of the ZrX2 (X = Se, Te) compounds has been studied using photoelectron, resonant photoelectron and X-ray absorption spectroscopy, theoretical calculations of the X-ray absorption spectra, and density of electronic states. It was found that the absorption spectra and valence band spectra are influenced by the chalcogen type. The results of the multiplet calculation of the Zr4+ atom show that the change in the splitting in the crystal field, which is described by the 10Dq parameter, is due to the change in the ratio of covalent and ionic contributions to the chemical bond. The resonance band near the Fermi level in the valence band spectra is observed for ZrTe2 in the Zr 3p-4d resonant excitation mode. The extent of photon energy indicates the charge localization on the Zr atom. Similar resonance band for ZrSe2 is absent; it indicates the presence of a gap at the Fermi level.

X-ray photoelectron spectroscopy of select multi-layered transition metal carbides (MXenes)

DOE PAGES

Halim, Joseph; Cook, Kevin M.; Naguib, Michael; ...

2015-12-01

A detailed high resolution X-ray photoelectron spectroscopy (XPS) analysis is presented in this work for select MXenes—a recently discovered family of two-dimensional (2D) carbides and carbonitrides. Given their 2D nature, understanding their surface chemistry is paramount. Thus we identify and quantify the surface groups present before, and after, sputter-cleaning as well as freshly prepared vs. aged multi-layered cold pressed discs. The nominal compositions of the MXenes studied here are Ti 3C 2T x, Ti 2CT x, Ti 3CNTx, Nb 2CT x and Nb 4C 3T x, where T represents surface groups that this work attempts to quantify. In all themore » cases, the presence of three surface terminations, single bondO, single bondOH and single bondF, in addition to OH-terminations relatively strongly bonded to H 2O molecules, was confirmed. Moreover, from XPS peak fits, it was possible to establish the average sum of the negative charges of the terminations for the aforementioned MXenes. Based on this work, it is now possible to quantify the nature of the surface terminations. This information can, in turn, be used to better design and tailor these novel 2D materials for various applications.« less

Valence band offset of β-Ga2O3/wurtzite GaN heterostructure measured by X-ray photoelectron spectroscopy

PubMed Central

2012-01-01

A sample of the β-Ga2O3/wurtzite GaN heterostructure has been grown by dry thermal oxidation of GaN on a sapphire substrate. X-ray diffraction measurements show that the β-Ga2O3 layer was formed epitaxially on GaN. The valence band offset of the β-Ga2O3/wurtzite GaN heterostructure is measured by X-ray photoelectron spectroscopy. It is demonstrated that the valence band of the β-Ga2O3/GaN structure is 1.40 ± 0.08 eV. PMID:23046910

X-ray absorption spectra: Graphene, h-BN, and their alloy

NASA Astrophysics Data System (ADS)

Bhowmick, Somnath; Rusz, Jan; Eriksson, Olle

2013-04-01

Using first-principles density functional theory calculations, in conjunction with the Mahan-Nozières-de Dominicis theory, we calculate the x-ray absorption spectra of the alloys of graphene and monolayer hexagonal boron nitride on a Ni (111) substrate. The chemical neighborhood of the constituent atoms (B, C, and N) inside the alloy differs from that of the parent phases. In a systematic way, we capture the change in the K-edge spectral shape, depending on the chemical neighborhood of B, C, and N. Our work also reiterates the importance of the dynamical core-hole screening for a proper description of the x-ray absorption process in sp2-bonded layered materials.

X-ray astronomical spectroscopy

NASA Technical Reports Server (NTRS)

Holt, Stephen S.

1987-01-01

The contributions of the Goddard group to the history of X-ray astronomy are numerous and varied. One role that the group has continued to play involves the pursuit of techniques for the measurement and interpretation of the X-ray spectra of cosmic sources. The latest development is the selection of the X-ray microcalorimeter for the Advanced X-ray Astrophysics Facility (AXAF) study payload. This technology is likely to revolutionize the study of cosmic X-ray spectra.

OSO-8 X-ray spectra of clusters of galaxies. 1. Observations of twenty clusters: Physical correlations

NASA Technical Reports Server (NTRS)

Mushotzky, R. F.; Serlemitsos, P. J.; Smith, B. W.; Boldt, E. A.; Holt, S. S.

1978-01-01

OSO-8 X-ray spectra from 2 to 20 keV were analyzed for 26 clusters of galaxies. Temperature, emission integrals, iron abundances, and low energy absorption measurements are given. Eight clusters have positive iron emission line detections at the 90% confidence level, and all twenty cluster spectra are consistent with Fe/H=0.000014 by number with the possible exception of Virgo. Physical correlations between X-ray spectral parameters and other cluster properties are examined. It is found that: (1) the X-ray temperature is approximately proportional to the square of the velocity dispersion of the galaxies; (2) the emission integral and therefore the bolometric X-ray luminosity is a strong function of the X-ray temperature; (3) the X-ray temperature and emission integral are better correlated with cluster central galaxy density than with richness; (4) temperature and emission integral are separately correlated with Rood-Sastry type; and (5) the fraction of galaxies which are spirals is correlated with the observed ram pressure in the cluster core.

Investigations on surface chemical analysis using X-ray photoelectron spectroscopy and optical properties of Dy3+-doped LiNa3P2O7 phosphor

NASA Astrophysics Data System (ADS)

Munirathnam, K.; Dillip, G. R.; Chaurasia, Shivanand; Joo, S. W.; Deva Prasad Raju, B.; John Sushma, N.

2016-08-01

Near white-light emitting LiNa3P2O7:Dy3+ phosphors were prepared by a conventional solid-state reaction method. The orthorhombic crystal structure of the phosphors was confirmed using X-ray diffraction (XRD), and the valence states of the surface elements were determined from the binding energies of Li 1s, O 1s, Na 1s, P 2p, and Dy 3d by X-ray photoelectron spectroscopy (XPS). Attenuated total reflectance (ATR) - Fourier transform infrared (FT-IR) spectroscopy was employed to identify the pyrophosphate groups in the phosphors. Diffuse reflectance spectra (DRS) show the absorption bands of the Dy3+ ions in the host material. Intense blue (481 nm) and yellow (575 nm) emissions were obtained at an excitation wavelength of 351 nm and are attributed to the 4F9/2 → 6H15/2 and 4F9/2 → 6H13/2 transitions of Dy3+ ions, respectively. The combination of these two intense bands generates light emission in the near-white region of the chromaticity diagram.

Photoelectron spectra of carbonyls. Propellenes and propellanones

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dougherty, D.; Bloomfield, J.J.; Newkome, G.R.

1976-09-23

The HeI photoelectron spectra (UPS) of a number of unsaturated (4.4.2)propellanes and (4.4.2)propellane-dione derivatives are presented. The interpretation of the UPS data is based on through-space and through-bond interaction models and on CNDO/s computations. An analysis of the photoelectron spectra of (4.4.2)propella-3,8-diene-11,12-dione (1), (4.4.2)propell-3-ene-11,12-dione (2), (4.4.2)propellane-11,12-dione (3), (4.4.2)propella-3,8-dien-11-one (4), and (4.4.2) propella-3,8-diene (5) involves the assignment of n/sub +/, n/sub -/, ..pi../sub +/, ..pi../sub -/, and sigma/sub square/ (i.e., cyclobutane sigma) ionization events. The analysis of the data for 5, (4.4.2)propella-3,8,11-triene (6), (4.4.2)propella-3,11-diene (7), and (4.4.2)propell-11-ene (8) leads to the conclusion that the photoelectron spectrum of 6 should be reassigned.more » The /sup 1/GAMMA/sub n..pi..*/ reverse arrow /sup 1/GAMMA/sub 1/ absorption spectra of 1,2, and 3 have been investigated as a function of temperature. The low energy of this transition in 1 is attributed to a high degree of CO/CO coplanarity, the high energy of this transition in 3 is attributed to CO/CO noncoplanarity, and the isomerism evident in 2 is attributed to multiple minima of the potential energy along the CO/CO dihedral angle coordinate of the ground state.« less

Using “Tender” x-ray ambient pressure x-Ray photoelectron spectroscopy as a direct probe of solid-liquid interface

DOE PAGES

Axnanda, Stephanus; Crumlin, Ethan J.; Mao, Baohua; ...

2015-05-07

We report a new method to probe the solid-liquid interface through the use of a thin liquid layer on a solid surface. An ambient pressure XPS (AP-XPS) endstation that is capable of detecting high kinetic energy photoelectrons (7 keV) at a pressure up to 110 Torr has been constructed and commissioned. Additionally, we have deployed a “dip & pull” method to create a stable nanometers-thick aqueous electrolyte on platinum working electrode surface. Combining the newly constructed AP-XPS system, “dip & pull” approach, with a “tender” X-ray synchrotron source (2 keV–7 keV), we are able to access the interface between liquidmore » and solid dense phases with photoelectrons and directly probe important phenomena occurring at the narrow solid-liquid interface region in an electrochemical system. Using this approach, we have performed electrochemical oxidation of the Pt electrode at an oxygen evolution reaction (OER) potential. Under this potential, we observe the formation of both Pt²⁺ and Pt⁴⁺ interfacial species on the Pt working electrode in situ. We believe this thin-film approach and the use of “tender” AP-XPS highlighted in this study is an innovative new approach to probe this key solid-liquid interface region of electrochemistry.« less

Using “Tender” x-ray ambient pressure x-Ray photoelectron spectroscopy as a direct probe of solid-liquid interface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Axnanda, Stephanus; Crumlin, Ethan J.; Mao, Baohua

We report a new method to probe the solid-liquid interface through the use of a thin liquid layer on a solid surface. An ambient pressure XPS (AP-XPS) endstation that is capable of detecting high kinetic energy photoelectrons (7 keV) at a pressure up to 110 Torr has been constructed and commissioned. Additionally, we have deployed a “dip & pull” method to create a stable nanometers-thick aqueous electrolyte on platinum working electrode surface. Combining the newly constructed AP-XPS system, “dip & pull” approach, with a “tender” X-ray synchrotron source (2 keV–7 keV), we are able to access the interface between liquidmore » and solid dense phases with photoelectrons and directly probe important phenomena occurring at the narrow solid-liquid interface region in an electrochemical system. Using this approach, we have performed electrochemical oxidation of the Pt electrode at an oxygen evolution reaction (OER) potential. Under this potential, we observe the formation of both Pt²⁺ and Pt⁴⁺ interfacial species on the Pt working electrode in situ. We believe this thin-film approach and the use of “tender” AP-XPS highlighted in this study is an innovative new approach to probe this key solid-liquid interface region of electrochemistry.« less

Effect of iron oxide reductive dissolution on the transformation and immobilization of arsenic in soils: New insights from X-ray photoelectron and X-ray absorption spectroscopy.

PubMed

Fan, Jian-Xin; Wang, Yu-Jun; Liu, Cun; Wang, Li-Hua; Yang, Ke; Zhou, Dong-Mei; Li, Wei; Sparks, Donald L

2014-08-30

The geochemical behavior and speciation of arsenic (As) in paddy soils is strongly controlled by soil redox conditions and the sequestration by soil iron oxyhydroxides. Hence, the effects of iron oxide reductive dissolution on the adsorption, transformation and precipitation of As(III) and As(V) in soils were investigated using batch experiments and synchrotron based techniques to gain a deeper understanding at both macroscopic and microscopic scales. The results of batch sorption experiments revealed that the sorption capacity of As(V) on anoxic soil was much higher than that on control soil. Synchrotron based X-ray fluorescence (μ-XRF) mapping studies indicated that As was heterogeneously distributed and was mainly associated with iron in the soil. X-ray absorption near edge structure (XANES), micro-X-ray absorption near edge structure (μ-XANES) and X-ray photoelectron spectroscopy (XPS) analyses revealed that the primary speciation of As in the soil is As(V). These results further suggested that, when As(V) was introduced into the anoxic soil, the rapid coprecipitation of As(V) with ferric/ferrous ion prevented its reduction to As(III), and was the main mechanism controlling the immobilization of As. This research could improve the current understanding of soil As chemistry in paddy and wetland soils. Copyright © 2014 Elsevier B.V. All rights reserved.

Vibrational spectra, powder X-ray diffractions and physical properties of cyanide complexes with 1-ethylimidazole

NASA Astrophysics Data System (ADS)

Kürkçüoğlu, Güneş Süheyla; Kiraz, Fulya Çetinkaya; Sayın, Elvan

2015-10-01

The heteronuclear tetracyanonickelate(II) complexes of the type [M(etim)Ni(CN)4]n (hereafter, abbreviated as M-Ni-etim, M = Mn(II), Fe(II) or Co(II); etim = 1-ethylimidazole, C5H8N2) were prepared in powder form and characterized by FT-IR and Raman spectroscopy, powder X-ray diffraction (PXRD), thermal (TG; DTG and DTA), and elemental analysis techniques. The structures of these complexes were elucidated using vibrational spectra and powder X-ray diffraction patterns with the peak assignment to provide a better understanding of the structures. It is shown that the spectra are consistent with a proposed crystal structure for these compounds derived from powder X-ray diffraction measurements. Vibrational spectra of the complexes were presented and discussed with respect to the internal modes of both the etim and the cyanide ligands. The C, H and N analyses were carried out for all the complexes. Thermal behaviors of these complexes were followed using TG, DTG and DTA curves in the temperature range 30-700 °C in the static air atmosphere. The FT-IR, Raman spectra, thermal and powder X-ray analyses revealed no significant differences between the single crystal and powder forms. Additionally, electrical and magnetic properties of the complexes were investigated. The FT-IR and Raman spectroscopy, PXRD, thermal and elemental analyses results propose that these complexes are similar in structure to the Hofmann-type complexes.

X-ray spectra and time variability of active galactic nuclei

NASA Technical Reports Server (NTRS)

Mushotzky, R. F.

1984-01-01

The X-ray spectra of broad line active galactic nuclei (AGN) of all types (Seyfert I's, NELG's, broadline radio galaxies) are well fit by a power law in the .5 to 100 keV band of man energy slope alpha = .68 + or - .15. There is, as yet, no strong evidence for time variability of this slope in a given object. The constraints that this places on simple models of the central energy source are discussed. BL Lac objects have quite different X-ray spectral properties and show pronounced X-ray spectral variability. On time scales longer than 12 hours most radio quiet AGN do not show strong, delta I/I .5, variability. The probability of variability of these AGN seems to be inversely related to their luminosity. However characteristics timescales for variability have not been measured for many objects. This general lack of variability may imply that most AGN are well below the Eddington limit. Radio bright AGN tend to be more variable than radio quiet AGN on long, tau approx 6 month, timescales.

OSO 8 X-ray spectra of clusters of galaxies. I - Observations of twenty clusters: Physical correlations

NASA Technical Reports Server (NTRS)

Mushotzky, R. F.; Serlemitsos, P. J.; Boldt, E. A.; Holt, S. S.; Smith, B. W.

1978-01-01

OSO 8 X-ray spectra from 2 to 20 keV have been analyzed for 26 clusters of galaxies. For 20 clusters temperatures, emission integrals, iron abundances, and low-energy absorption measurements are presented. The data give, in general, better fits to thermal bremsstrahlung than to power-law models. Eight clusters have positive iron emission-line detections at the 90% confidence level, and all 20 cluster spectra are consistent with Fe/H = 0.000014 by number with the possible exception of Virgo. Thus it is confirmed that X-ray emission in this energy band is predominantly thermal radiation from hot intracluster gas rather than inverse Compton radiation. Physical correlations between X-ray spectral parameters and other cluster properties are examined. It is found that (1) the X-ray temperature is approximately proportional to the square of the velocity dispersion of the galaxies; (2) the emission integral is a strong function of the X-ray temperature; (3) the X-ray temperature and emission integral are better correlated with cluster central-galaxy density than with richness; and (4) the fraction of galaxies which are spirals is correlated with the observed ram pressure in the cluster core.

X-ray position detector and implementation in a mirror pointing servo system

DOEpatents

Rabedeau, Thomas A.; Van Campen, Douglas G.; Stefan, Peter M.

2016-04-05

An X-ray beam position and stability detector is provided having a first metal blade collinear with a second metal blade, where an edge of the first metal blade is opposite an edge of the second metal blade, where the first metal blade edge and the second metal blade edge are disposed along a centerline with respect to each other, where the metal blades are capable of photoelectron emission when exposed to an x-ray beam, a metal coating on the metal blades that is capable of enhancing the photoelectron emission, or suppressing energy-resonant contaminants, or enhancing the photoelectron emission and suppressing energy-resonant contaminants, a background shielding element having an electrode capable of suppressing photoelectron emission from spurious x-rays not contained in an x-ray beam of interest, and a photoelectron emission detector having an amplifier capable of detecting the photoelectron emission as a current signal.

Direct measurement of mammographic X-ray spectra with a digital CdTe detection system.

PubMed

Abbene, Leonardo; Gerardi, Gaetano; Principato, Fabio; Del Sordo, Stefano; Raso, Giuseppe

2012-01-01

In this work we present a detection system, based on a CdTe detector and an innovative digital pulse processing (DPP) system, for high-rate X-ray spectroscopy in mammography (1-30 keV). The DPP system performs a height and shape analysis of the detector pulses, sampled and digitized by a 14-bit, 100 MHz ADC. We show the results of the characterization of the detection system both at low and high photon counting rates by using monoenergetic X-ray sources and a nonclinical X-ray tube. The detection system exhibits excellent performance up to 830 kcps with an energy resolution of 4.5% FWHM at 22.1 keV. Direct measurements of clinical molybdenum X-ray spectra were carried out by using a pinhole collimator and a custom alignment device. A comparison with the attenuation curves and the half value layer values, obtained from the measured and simulated spectra, from an ionization chamber and from a solid state dosimeter, also shows the accuracy of the measurements. These results make the proposed detection system a very attractive tool for both laboratory research, calibration of dosimeters and advanced quality controls in mammography.

Measurement of x-ray spectra using a recent YAP(Ce)-MPPC detector

NASA Astrophysics Data System (ADS)

Sato, Eiichi; Oda, Yasuyuki; Yoshida, Sohei; Yamaguchi, Satoshi; Sato, Yuichi; Ishii, Tomotaka; Hagiwara, Osahiko; Matsukiyo, Hiroshi; Enomoto, Toshiyuki; Watanabe, Manabu; Kusachi, Shinya

2017-09-01

To measure X-ray spectra with high count rates, we developed a detector consisting of a cerium-doped yttrium aluminum perovskite [YAP(Ce)] crystal and a recent multipixel photon counter (MPPC). Scintillation photons are detected using the MPPC, and the photocurrents flowing through the MPPC are converted into voltages and amplified using a high-speed current-voltage (I-V) amplifier. The MPPC bias voltage was set to a value at the pre-Geiger mode to perform zero-dark counting. The event-pulse widths were approximately 200 ns, and the widths were extend to approximately 1 μs. X-ray spectra were measured using a multichannel analyzer (MCA) for pulse-height analysis. The photon energy was roughly determined by the two-point calibration using tungsten K photons and iodine K fluorescence. Using the YAP(Ce)-MPPC detector, first-generation dual-energy computed tomography was accomplished using iodine and gadolinium contrast media.

The soft X-ray excess in Einstein quasar spectra

NASA Technical Reports Server (NTRS)

Masnou, J. L.; Wilkes, B. J.; Elvis, M.; Mcdowell, J. C.; Arnaud, K. A.

1992-01-01

An SNR-limited subsample of 14 quasars from the Wilkes and Elvis (1987) sample is presently investigated for low-energy excess above a high-energy power law in the X-ray spectra obtained by the Einstein Imaging Proportional Counter. A significant excess that is 1-6 times as strong as the high-energy component at 0.2 keV is noted in eight of the 14 objects. In the case of 3C273, multiple observations show the excess to be variable.

Modeling of X-ray Images and Energy Spectra Produced by Stepping Lightning Leaders

NASA Astrophysics Data System (ADS)

Xu, Wei; Marshall, Robert A.; Celestin, Sebastien; Pasko, Victor P.

2017-11-01

Recent ground-based measurements at the International Center for Lightning Research and Testing (ICLRT) have greatly improved our knowledge of the energetics, fluence, and evolution of X-ray emissions during natural cloud-to-ground (CG) and rocket-triggered lightning flashes. In this paper, using Monte Carlo simulations and the response matrix of unshielded detectors in the Thunderstorm Energetic Radiation Array (TERA), we calculate the energy spectra of X-rays as would be detected by TERA and directly compare with the observational data during event MSE 10-01. The good agreement obtained between TERA measurements and theoretical calculations supports the mechanism of X-ray production by thermal runaway electrons during the negative corona flash stage of stepping lightning leaders. Modeling results also suggest that measurements of X-ray bursts can be used to estimate the approximate range of potential drop of lightning leaders. Moreover, the X-ray images produced during the leader stepping process in natural negative CG discharges, including both the evolution and morphological features, are theoretically quantified. We show that the compact emission pattern as recently observed in X-ray images is likely produced by X-rays originating from the source region, and the diffuse emission pattern can be explained by the Compton scattering effects.

Deduction of the chemical state and the electronic structure of Nd{sub 2}Fe{sub 14}B compound from X-ray photoelectron spectroscopy core-level and valence-band spectra

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Jing; Liang, Le; Zhang, Lanting, E-mail: lantingzh@sjtu.edu.cn, E-mail: lmsun@sjtu.edu.cn

2014-10-28

Characterization of chemical state and electronic structure of the technologically important Nd{sub 2}Fe{sub 14}B compound is attractive for understanding the physical nature of its excellent magnetic properties. X-ray photoelectron spectroscopy (XPS) study of such rare-earth compound is important and also challenging due to the easy oxidation of surface and small photoelectron cross-sections of rare-earth 4f electrons and B 2p electrons, etc. Here, we reported an investigation based on XPS spectra of Nd{sub 2}Fe{sub 14}B compound as a function of Ar ion sputtering time. The chemical state of Fe and that of B in Nd{sub 2}Fe{sub 14}B compound can be clearlymore » determined to be 0 and −3, respectively. The Nd in Nd{sub 2}Fe{sub 14}B compound is found to have the chemical state of close to +3 instead of +3 as compared with the Nd in Nd{sub 2}O{sub 3}. In addition, by comparing the valence-band spectrum of Nd{sub 2}Fe{sub 14}B compound to that of the pure Fe, the contributions from Nd, Fe, and B to the valence-band structure of Nd{sub 2}Fe{sub 14}B compound is made more clear. The B 2p states and B 2s states are identified to be at ∼11.2 eV and ∼24.6 eV, respectively, which is reported for the first time. The contribution from Nd 4f states can be identified both in XPS core-level spectrum and XPS valence-band spectrum. Although Nd 4f states partially hybridize with Fe 3d states, Nd 4f states are mainly localized in Nd{sub 2}Fe{sub 14}B compound.« less

X-ray-binary spectra in the lamp post model

NASA Astrophysics Data System (ADS)

Vincent, F. H.; Różańska, A.; Zdziarski, A. A.; Madej, J.

2016-05-01

Context. The high-energy radiation from black-hole binaries may be due to the reprocessing of a lamp located on the black hole rotation axis and emitting X-rays. The observed spectrum is made of three major components: the direct spectrum traveling from the lamp directly to the observer; the thermal bump at the equilibrium temperature of the accretion disk heated by the lamp; and the reflected spectrum essentially made of the Compton hump and the iron-line complex. Aims: We aim to accurately compute the complete reprocessed spectrum (thermal bump + reflected) of black-hole binaries over the entire X-ray band. We also determine the strength of the direct component. Our choice of parameters is adapted to a source showing an important thermal component. We are particularly interested in investigating the possibility to use the iron-line complex as a probe to constrain the black hole spin. Methods: We computed in full general relativity the illumination of a thin accretion disk by a fixed X-ray lamp along the rotation axis. We used the ATM21 radiative transfer code to compute the local, energy-dependent spectrum emitted along the disk as a function of radius, emission angle and black hole spin. We then ray traced this local spectrum to determine the final reprocessed spectrum as received by a distant observer. We consider two extreme values of the black hole spin (a = 0 and a = 0.98) and discuss the dependence of the local and ray-traced spectra on the emission angle and black hole spin. Results: We show the importance of the angle dependence of the total disk specific intensity spectrum emitted by the illuminated atmosphere when the thermal disk emission is fully taken into account. The disk flux, together with the X-ray flux from the lamp, determines the temperature and ionization structure of the atmosphere. High black hole spin implies high temperature in the inner disk regions, therefore, the emitted thermal disk spectrum fully covers the iron-line complex. As a

Understanding the X-ray spectrum of anomalous X-ray pulsars and soft gamma-ray repeaters

NASA Astrophysics Data System (ADS)

Guo, Yan-Jun; Dai, Shi; Li, Zhao-Sheng; Liu, Yuan; Tong, Hao; Xu, Ren-Xin

2015-04-01

Hard X-rays above 10 keV are detected from several anomalous X-ray pulsars (AXPs) and soft gamma-ray repeaters (SGRs), and different models have been proposed to explain the physical origin within the frame of either a magnetar model or a fallback disk system. Using data from Suzaku and INTEGRAL, we study the soft and hard X-ray spectra of four AXPs/SGRs: 1RXS J170849-400910, 1E 1547.0-5408, SGR 1806-20 and SGR 0501+4516. It is found that the spectra could be well reproduced by the bulk-motion Comptonization (BMC) process as was first suggested by Trümper et al., showing that the accretion scenario could be compatible with X-ray emission from AXPs/SGRs. Simulated results from the Hard X-ray Modulation Telescope using the BMC model show that the spectra would have discrepancies from the power-law, especially the cutoff at ˜200 keV. Thus future observations will allow researchers to distinguish different models of the hard X-ray emission and will help us understand the nature of AXPs/SGRs. Supported by the National Natural Science Foundation of China.

X-ray photoelectron spectroscopic evidence for bacteria-enhanced dissolution of hornblende

NASA Astrophysics Data System (ADS)

Kalinowski, B. E.; Liermann, L. J.; Brantley, S. L.; Barnes, A.; Pantano, C. G.

2000-04-01

An Arthrobacter species capable of extracting Fe from hornblende was isolated from a soil from the Adirondacks, NY (USA). This bacteria isolate, used in batch experiments with hornblende, accelerated the release of Fe from hornblende without measurably affecting Al release. The isolate produces both low molecular weight organic acids (LMWOA) and a catecholate siderophore. Polished hornblende (glass and crystal) discs were analyzed with X-ray photoelectron spectroscopy (XPS) before and after incubation with growing Arthrobacter sp. to investigate whether the bacteria caused a distinguishable chemical signature on the upper 100 Å of mineral surface. After removal of the arthrobacter grown on hornblende crystal or glass substrates using lysozyme, XPS revealed surface depletion of Fe for samples grown for several days in buffered (crystal) and unbuffered (crystal and glass) media. Fe/Si ratios of hornblende surfaces dissolved under biotic conditions are significantly lower than Fe/Si ratios on surfaces dissolved under abiotic conditions for similar amounts of time. Enhanced Fe release and the formation of Fe-depleted surfaces is inferred to be caused by catechol complexation at the mineral surface. Because natural siderophore was not isolated in sufficient quantities to run bacteria-free leaching experiments, parallel investigations were run with a commercially available siderophore (desferrioxamine B). Desferrioxamine B was observed to enhance release of Fe, Si, and Al from hornblende both with and without added bacteria. Formation of desferrioxamine-Fe surface complexes were probed by studying the multiple splitting and shift in intensities of the N 1s line analyzed by XPS on siderophore ± Fe on gold surfaces and siderophore + hornblende crystal surfaces. Based upon the observed formation of an hydroxamate (desferrioxamine) surface complex on hornblende, we infer that catecholate siderophores, such as those produced by the arthrobacter, also complex on the

Structure determination of a multilayer with an island-like overlayer using hard x-ray photoelectron spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Isomura, N., E-mail: isomura@mosk.tytlabs.co.jp; Kataoka, K.; Horibuchi, K.

We use hard X-ray photoelectron spectroscopy (HAXPES) to obtain the surface structure of a multilayer Au/SiO{sub 2}/Si substrate sample with an island-like overlayer. Photoelectron intensities are measured as a function of incident photon energy (PE) and take-off angle (TOA, measured from the sample surface). The Au layer coverage and Au and SiO{sub 2} layer thicknesses are obtained by the PE dependence, and are used for the following TOA analysis. The Au island lateral width in the cross section is obtained by the TOA dependence, including information about surface roughness, in consideration of the island shadowing at small TOAs. In bothmore » cases, curve-fitting analysis is conducted. The surface structure, which consists of layer thicknesses, overlayer coverage and island width, is determined nondestructively by a combination of PE and TOA dependent HAXPES measurements.« less

Theoretical study on the anion photoelectron spectra of Ln(COT)2- including the spin-orbit effects

NASA Astrophysics Data System (ADS)

Nakajo, Erika; Yabushita, Satoshi

2017-06-01

The multiplet level splittings for both anion and neutral sandwich complexes Ln(COT)2 (Ln = Ce-Yb, COT = 1,3,5,7-cyclooctatetraene) were calculated with spin-orbit interactions to analyze their anion photoelectron spectra. The theoretically simulated spectra obtained with these energies and the pole strengths are generally consistent with the experimental spectra for the X peak. The magnitudes of the energy splittings, relative peak intensities, and their Ln dependence are reproduced. In comparison to our previous calculations, the inclusion of spin-orbit interactions with the SO-MCQDPT2 method makes the simulated spectra more consistent with the results of the experiment.

Near-edge X-ray absorption spectra for metallic Cu and Mn

NASA Astrophysics Data System (ADS)

Greaves, G. N.; Durham, P. J.; Diakun, G.; Quinn, P.

1981-11-01

The measurement of X-ray absorption fine structure of metals- both in the extended region (EXAFS) as well as in the near edge region (XANES)-has been widely discussed (see refs 1-6 for Cu and refs 7-9 for Mn). The recent availability of intense X-ray fluxes from storage rings has usually been exploited for EXAFS leaving the XANES often with poorer resolution than earlier work performed on conventional sources (for example, compare the near edge structure for copper in ref. 1 with refs 3 or 6). In addition, whilst the theory and analysis of EXAFS is relatively well-established2,10, a theory for the strong scattering regime near to the absorption edge has only recently been developed11. We report here the first high resolution XANES spectra for Cu and Mn which were performed at the SRS storage ring at Daresbury. Although both metals have close-packed structures consisting of atoms of similar size their local atomic structure is different in detail. Significant differences are found in their respective XANES reflecting the senstivity of this region of the X-ray absorption fine structure to the local atomic structure. Spectra for the two metals have been analysed using the new multiple scattering formalism. This is a real space calculation and unlike a conventional band structure approach it does not require structural periodicity but works from the local arrangement of atoms.

Monte Carlo Simulation of X-Ray Spectra in Mammography and Contrast-Enhanced Digital Mammography Using the Code PENELOPE

NASA Astrophysics Data System (ADS)

Cunha, Diego M.; Tomal, Alessandra; Poletti, Martin E.

2013-04-01

In this work, the Monte Carlo (MC) code PENELOPE was employed for simulation of x-ray spectra in mammography and contrast-enhanced digital mammography (CEDM). Spectra for Mo, Rh and W anodes were obtained for tube potentials between 24-36 kV, for mammography, and between 45-49 kV, for CEDM. The spectra obtained from the simulations were analytically filtered to correspond to the anode/filter combinations usually employed in each technique (Mo/Mo, Rh/Rh and W/Rh for mammography and Mo/Cu, Rh/Cu and W/Cu for CEDM). For the Mo/Mo combination, the simulated spectra were compared with those obtained experimentally, and for spectra for the W anode, with experimental data from the literature, through comparison of distribution shape, average energies, half-value layers (HVL) and transmission curves. For all combinations evaluated, the simulated spectra were also compared with those provided by different models from the literature. Results showed that the code PENELOPE provides mammographic x-ray spectra in good agreement with those experimentally measured and those from the literature. The differences in the values of HVL ranged between 2-7%, for anode/filter combinations and tube potentials employed in mammography, and they were less than 5% for those employed in CEDM. The transmission curves for the spectra obtained also showed good agreement compared to those computed from reference spectra, with average relative differences less than 12% for mammography and CEDM. These results show that the code PENELOPE can be a useful tool to generate x-ray spectra for studies in mammography and CEDM, and also for evaluation of new x-ray tube designs and new anode materials.

Experimental and theoretical comparison of the O K-edge nonresonant inelastic X-ray scattering and X-ray absorption spectra of NaReO4.

PubMed

Bradley, Joseph A; Yang, Ping; Batista, Enrique R; Boland, Kevin S; Burns, Carol J; Clark, David L; Conradson, Steven D; Kozimor, Stosh A; Martin, Richard L; Seidler, Gerald T; Scott, Brian L; Shuh, David K; Tyliszczak, Tolek; Wilkerson, Marianne P; Wolfsberg, Laura E

2010-10-06

Accurate X-ray absorption spectra (XAS) of first row atoms, e.g., O, are notoriously difficult to obtain due to the extreme sensitivity of the measurement to surface contamination, self-absorption, and saturation affects. Herein, we describe a comprehensive approach for determining reliable O K-edge XAS data for ReO(4)(1-) and provide methodology for obtaining trustworthy and quantitative data on nonconducting molecular systems, even in the presence of surface contamination. This involves comparing spectra measured by nonresonant inelastic X-ray scattering (NRIXS), a bulk-sensitive technique that is not prone to X-ray self-absorption and provides exact peak intensities, with XAS spectra obtained by three different detection modes, namely total electron yield (TEY), fluorescence yield (FY), and scanning transmission X-ray microscopy (STXM). For ReO(4)(1-), TEY measurements were heavily influenced by surface contamination, while the FY and STXM data agree well with the bulk NRIXS analysis. These spectra all showed two intense pre-edge features indicative of the covalent interaction between the Re 5d and O 2p orbitals. Density functional theory calculations were used to assign these two peaks as O 1s excitations to the e and t(2) molecular orbitals that result from Re 5d and O 2p covalent mixing in T(d) symmetry. Electronic structure calculations were used to determine the amount of O 2p character (%) in these molecular orbitals. Time dependent-density functional theory (TD-DFT) was also used to calculate the energies and intensities of the pre-edge transitions. Overall, under these experimental conditions, this analysis suggests that NRIXS, STXM, and FY operate cooperatively, providing a sound basis for validation of bulk-like excitation spectra and, in combination with electronic structure calculations, suggest that NaReO(4) may serve as a well-defined O K-edge energy and intensity standard for future O K-edge XAS studies.

Spectra of cosmic X-ray sources

NASA Technical Reports Server (NTRS)

Holt, S. S.; Mccray, R.

1982-01-01

X-ray measurements provide the most direct probes of astrophysical environments with temperatures exceeding one million K. Progress in experimental research utilizing dispersive techniques (e.g., Bragg and grating spectroscopy) is considerably slower than that in areas utilizing photometric techniques, because of the relative inefficiency of the former for the weak X-ray signals from celestial sources. As a result, the term "spectroscopy" as applied to X-ray astronomy has traditionally satisfied a much less restrictive definition (in terms of resolving power) than it has in other wavebands. Until quite recently, resolving powers of order unity were perfectly respectable, and still provide (in most cases) the most useful spectroscopic data. In the broadest sense, X-ray photometric measurements are spectroscopic, insofar as they represent samples of the overall electromagnetic continua of celestial objects.

Application of a relativistic accretion disc model to X-ray spectra of LMC X-1 and GRO J1655-40

NASA Astrophysics Data System (ADS)

Gierliński, Marek; Maciołek-Niedźwiecki, Andrzej; Ebisawa, Ken

2001-08-01

We present a general relativistic accretion disc model and its application to the soft-state X-ray spectra of black hole binaries. The model assumes a flat, optically thick disc around a rotating Kerr black hole. The disc locally radiates away the dissipated energy as a blackbody. Special and general relativistic effects influencing photons emitted by the disc are taken into account. The emerging spectrum, as seen by a distant observer, is parametrized by the black hole mass and spin, the accretion rate, the disc inclination angle and the inner disc radius. We fit the ASCA soft-state X-ray spectra of LMC X-1 and GRO J1655-40 by this model. We find that, having additional limits on the black hole mass and inclination angle from optical/UV observations, we can constrain the black hole spin from X-ray data. In LMC X-1 the constraint is weak, and we can only rule out the maximally rotating black hole. In GRO J1655-40 we can limit the spin much better, and we find 0.68<=a<=0.88. Accretion discs in both sources are radiation-pressure dominated. We do not find Compton reflection features in the spectra of any of these objects.

Structure of high-resolution K β1 ,3 x-ray emission spectra for the elements from Ca to Ge

NASA Astrophysics Data System (ADS)

Ito, Y.; Tochio, T.; Yamashita, M.; Fukushima, S.; Vlaicu, A. M.; Syrocki, Ł.; Słabkowska, K.; Weder, E.; Polasik, M.; Sawicka, K.; Indelicato, P.; Marques, J. P.; Sampaio, J. M.; Guerra, M.; Santos, J. P.; Parente, F.

2018-05-01

The K β x-ray spectra of the elements from Ca to Ge have been systematically investigated using a high-resolution antiparallel double-crystal x-ray spectrometer. Each K β1 ,3 natural linewidth has been corrected using the instrumental function of this type of x-ray spectrometer, and the spin doublet energies have been obtained from the peak position values in K β1 ,3 x-ray spectra. For all studied elements the corrected K β1 x-ray lines FWHM increase linearly as a function of Z . However, for K β3 x-ray lines this dependence is generally not linear in the case of 3 d elements but increases from Sc to Co elements. It has been found that the contributions of satellite lines are considered to be [K M ] shake processes. Our theoretically predicted synthetic spectra of Ca, Mn, Cu, and Zn are in very good agreement with our high-resolution measurements, except in the case of Mn, due to the open-shell valence configuration effect (more than 7000 transitions for diagram lines and more than 100 000 transitions for satellite lines) and the influence of the complicated structure of the metallic Mn.

Magnetic x-ray dichroism in ultrathin epitaxial films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tobin, J.G.; Goodman, K.W.; Cummins, T.R.

1997-04-01

The authors have used Magnetic X-ray Linear Dichroism (MXLD) and Magnetic X-ray Circular Dichroism (MXCD) to study the magnetic properties of epitaxial overlayers in an elementally specific fashion. Both MXLD and MXCD Photoelectron Spectroscopy were performed in a high resolution mode at the Spectromicroscopy Facility of the ALS. Circular Polarization was obtained via the utilization of a novel phase retarder (soft x-ray quarter wave plate) based upon transmission through a multilayer film. The samples were low temperature Fe overlayers, magnetic alloy films of NiFe and CoNi, and Gd grown on Y. The authors results include a direct comparison of highmore » resolution angle resolved Photoelectron Spectroscopy performed in MXLD and MXCD modes as well as structural studies with photoelectron diffraction.« less

Absorption in X-ray spectra of high-redshift quasars

NASA Technical Reports Server (NTRS)

Elvis, Martin; Fiore, Fabrizio; Wilkes, Belinda; Mcdowell, Jonathan; Bechtold, Jill

1994-01-01

We present evidence that X-ray absorption is common in high-redshift quasars. We have studied six high-redshift (z approximately 3) quasars with the ROSAT Position Sensitive Proportional Counter (PSPC) of which four are in directions of low Galactic N(sub H). Three out of these four show excess absorption, while only three in approximately 50 z approximately less than 0.4 quasars do, indicating that such absorption must be common, but not ubiquitous, at high redshifts, and that the absorbers must lie at z greater than 0.4. The six quasars were: S5 0014+81, Q0420-388, PKS 0438-436, S4 0636+680. PKS 2000-330, PKS 2126-158, which have redshifts between 2.85 and 3.78. PKS 0438-436 and PKS 2126-158 show evidence for absorption above the local Galactic value at better than 99.999% confidence level. If the absorber is at the redshift of the quasar, then values of N(sub H) = (0.86(+0.49, -0.28)) x 10(exp 22) atoms/sq cm for PKS 0438-436, and N(sub H) = (1.45(+1.20, -0.64)) x 10(exp 22) atoms/ sq cm for PKS 2126-158, are implied, assuming solar abundances. The spectrum of S4 0636+680 also suggests the presence of a similarly large absorption column density at the 98% confidence level. This absorption reverses the trend for the most luminous active galactic nuclei (AGN) to have the least X-ray absorption, so a new mechanism is likely to be responsible. Intervening absorption due to damped Lyman(alpha) systems is a plausible cause. We also suggest, as an intrinsic model, that intracluster material, e.g., a cooling flow, around the quasar could account for both the X-ray spectrum and other properties of these quasars. All the quasars are radio-loud and three are gigahertz peaked (two of the three showing absorption). No excess absorption above the Galactic value is seen toward Q0420-388. This quasar has two damped Lyman(alpha) systems at z = 3.08. The limit on the X-ray column density implies a low ionization fraction, N(H I)/N(H) approximately greater than 4 x 10(exp -3) (3

Construction of a magnetic bottle spectrometer and its application to pulse duration measurement of X-ray laser using a pump-probe method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Namba, S., E-mail: namba@hiroshima-u.ac.jp; Hasegawa, N.; Kishimoto, M.

To characterize the temporal evolution of ultrashort X-ray pulses emitted by laser plasmas using a pump-probe method, a magnetic bottle time-of-flight electron spectrometer is constructed. The design is determined by numerical calculations of a mirror magnetic field and of the electron trajectory in a flight tube. The performance of the spectrometer is characterized by measuring the electron spectra of xenon atoms irradiated with a laser-driven plasma X-ray pulse. In addition, two-color above-threshold ionization (ATI) experiment is conducted for measurement of the X-ray laser pulse duration, in which xenon atoms are simultaneously irradiated with an X-ray laser pump and an IRmore » laser probe. The correlation in the intensity of the sideband spectra of the 4d inner-shell photoelectrons and in the time delay of the two laser pulses yields an X-ray pulse width of 5.7 ps, in good agreement with the value obtained using an X-ray streak camera.« less

Ab Initio Theory of Dynamical Core-Hole Screening in Graphite from X-Ray Absorption Spectra

NASA Astrophysics Data System (ADS)

Wessely, O.; Katsnelson, M. I.; Eriksson, O.

2005-04-01

We have implemented the effect of dynamical core-hole screening, as given by Mahan, Nozières, and De Dominicis, in a first-principles based method and applied the theory to the x-ray absorption (XA) spectrum of graphite. It turns out that two of the conspicuous peaks of graphite are well described, both regarding the position, shape, and relative intensity, whereas one peak is absent in the theory. Only by incorporation of both excitonic and delocalized processes can a full account of the experimental spectrum be obtained theoretically, and we interpret the XA spectrum in graphite to be the result of a well screened and a poor screened process, much in the same way as is done for core level x-ray photoelectron spectroscopy.

Detection of absorption lines in the spectra of X-ray bursts from X1608-52

NASA Astrophysics Data System (ADS)

Nakamura, Norio; Inoue, Hajime; Tanaka, Yasuo

X-ray bursts from X 1608-52 were observed with the gas scintillation proportional counters on the Tenma satellite. Absorption features were detected in the spectra of three bursts among 17 bursts observed. These absorption features are consistent with a common absorption line at 4.1 keV. The energy and the properties of the absorption lines of the X 1608-52 bursts are very similar to those observed from the X 1636-53 bursts by Waki et al. (1984). Near equality of the absorption-line energies for X 1636-53 and X 1608-52 would imply that mass and radius of the neutron stars in these two systems are very similar to each other.

Band bending at the heterointerface of GaAs/InAs core/shell nanowires monitored by synchrotron X-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Khanbabaee, B.; Bussone, G.; Knutsson, J. V.; Geijselaers, I.; Pryor, C. E.; Rieger, T.; Demarina, N.; Grützmacher, D.; Lepsa, M. I.; Timm, R.; Pietsch, U.

2016-10-01

Unique electronic properties of semiconductor heterostructured nanowires make them useful for future nano-electronic devices. Here, we present a study of the band bending effect at the heterointerface of GaAs/InAs core/shell nanowires by means of synchrotron based X-ray photoelectron spectroscopy. Different Ga, In, and As core-levels of the nanowire constituents have been monitored prior to and after cleaning from native oxides. The cleaning process mainly affected the As-oxides and was accompanied by an energy shift of the core-level spectra towards lower binding energy, suggesting that the As-oxides turn the nanowire surfaces to n-type. After cleaning, both As and Ga core-levels revealed an energy shift of about -0.3 eV for core/shell compared to core reference nanowires. With respect to depth dependence and in agreement with calculated strain distribution and electron quantum confinement, the observed energy shift is interpreted by band bending of core-levels at the heterointerface between the GaAs nanowire core and the InAs shell.

Electronic structure of the (Nd{sub 1−x}Dy{sub x}){sub 2}Fe{sub 14}B (0 ≤ x ≤ 1) system studied by X-ray photoelectron spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Jing; Liang, Le; Yang, Bin

2015-09-15

Systematic characterization of electronic structures in the (Nd{sub 1−x}Dy{sub x}){sub 2}Fe{sub 14}B system, especially the 4f behavior, provides an insight to the physical nature of the evolution of magnetic properties. A series of X-ray photoelectron spectroscopy (XPS) core-level and valence-band spectra were used to study the electronic structures. It was found that substitution of Dy for Nd in Nd{sub 2}Fe{sub 14}B results in a nonlinear variation in the evolution of electronic structures. Only the finite coupling between the Nd 4f states and the Fe 3d states is found at both the Nd-rich regime and the Dy-rich regime. When the Dymore » concentration and the Nd concentration approach to be equal, a strong coupling between the Nd 4f states and the Fe 3d states is found, which results in a bonding state between them. Additionally, the 4f components in the (Nd{sub 1−x}Dy{sub x}){sub 2}Fe{sub 14}B system are ascribed to three parts: 1) the individual contribution of the Dy 4f states, which emerges just after the Dy-substitution; 2) the contribution of the coupling between the Nd 4f states and the Dy 4f states, which arises only when 0.4 ≤ x ≤ 0.6; 3) the associated contributions of the Nd 4f states and the Dy 4f states, where the contribution of the Nd 4f states and that of the Dy 4f states are prominent in the Nd-rich regime and Dy-rich regime, respectively.« less

Monte Carlo derivation of filtered tungsten anode X-ray spectra for dose computation in digital mammography.

PubMed

Paixão, Lucas; Oliveira, Bruno Beraldo; Viloria, Carolina; de Oliveira, Marcio Alves; Teixeira, Maria Helena Araújo; Nogueira, Maria do Socorro

2015-01-01

Derive filtered tungsten X-ray spectra used in digital mammography systems by means of Monte Carlo simulations. Filtered spectra for rhodium filter were obtained for tube potentials between 26 and 32 kV. The half-value layer (HVL) of simulated filtered spectra were compared with those obtained experimentally with a solid state detector Unfors model 8202031-H Xi R/F & MAM Detector Platinum and 8201023-C Xi Base unit Platinum Plus w mAs in a Hologic Selenia Dimensions system using a direct radiography mode. Calculated HVL values showed good agreement as compared with those obtained experimentally. The greatest relative difference between the Monte Carlo calculated HVL values and experimental HVL values was 4%. The results show that the filtered tungsten anode X-ray spectra and the EGSnrc Monte Carlo code can be used for mean glandular dose determination in mammography.

Impact of water vapour and carbon dioxide on surface composition of C{sub 3}A polymorphs studied by X-ray photoelectron spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dubina, E.; Plank, J.; Black, L., E-mail: l.black@leeds.ac.uk

2015-07-15

The surface specific analytical method, X-ray photoelectron spectroscopy (XPS), has been used to study the effects of water vapour and CO{sub 2} on the cubic and orthorhombic polymorphs of C{sub 3}A. Significant differences between the two polymorphs were observed in the XPS spectra. Upon exposure to water vapour, both polymorphs produced C{sub 4}AH{sub 13} on their surfaces. Additionally, the sodium-doped o-C{sub 3}A developed NaOH and traces of C{sub 3}AH{sub 6} on its surface. Subsequent carbonation yielded mono carboaluminate on both polymorphs. Large amounts of Na{sub 2}CO{sub 3} also formed on the surface of o-C{sub 3}A as a result of carbonationmore » of NaOH. Furthermore, the extent of carbonation was much more pronounced for o-C{sub 3}A{sub o} than for c-C{sub 3}A.« less

Lab-based ambient pressure X-ray photoelectron spectroscopy from past to present

NASA Astrophysics Data System (ADS)

Arble, Chris; Jia, Meng; Newberg, John T.

2018-05-01

Chemical interactions which occur at a heterogeneous interface between a gas and substrate are critical in many technological and natural processes. Ambient pressure X-ray photoelectron spectroscopy (AP-XPS) is a powerful spectroscopy tool that is inherently surface sensitive, elemental and chemical specific, with the ability to probe sample surfaces in the presence of a gas phase. In this review, we discuss the evolution of lab-based AP-XPS instruments, from the first development by Siegbahn and coworkers up through modern day systems. A comprehensive overview is given of heterogeneous experiments investigated to date via lab-based AP-XPS along with the different instrumental metrics that affect the quality of sample probing. We conclude with a discussion of future directions for lab-based AP-XPS, highlighting the efficacy for this in-demand instrument to continue to expand in its ability to significantly advance our understanding of surface chemical processes under in situ conditions in a technologically multidisciplinary setting.

X-ray photoelectron spectroscopy study of radiofrequency-sputtered refractory compound steel interfaces

NASA Technical Reports Server (NTRS)

Wheeler, D. R.; Brainard, W. A.

1978-01-01

Radiofrequency sputtering was used to deposit Mo2C, Mo2B5, and MoSi2 coatings on 440C steel substrates. Both sputter etched and preoxidized substrates were used, and the films were deposited with and without a substrate bias of -300 V. The composition of the coatings was measured as a function of depth by X-ray photoelectron spectroscopy combined with argon ion etching. In the interfacial region there was evidence that bias produced a graded interface in Mo2B5 but not in Mo2C. Oxides of iron and of all film constituents except carbon were presented in all cases but the iron oxide concentration was higher and the layer thicker on the preoxidized substrates. The film and iron oxides were mixed in the MoSi2 and Mo2C films but layered in the Mo2B5 film. The presence of mixed oxides correlates with enhanced film adhesion.

X-ray photoelectron spectroscopic study of the interaction of xanthate with coal pyrite and mineral pyrite surfaces

NASA Astrophysics Data System (ADS)

Khan, S. U. M.; Baltrus, J. P.; Lai, R. W.; Richardson, A. G.

1991-06-01

Coal pyrite and mineral pyrite surfaces were examined by X-ray photoelectron spectroscopy (XPS) before and after treatment in acidic and basic solutions of sodium ethyl xanthate (NaEtX). XPS showed that the degree of oxidation of coal and mineral pyrite surfaces increased when these pyrites were conditioned in basic solutions. However, conditioning in acidic solutions led to partial removal of surface oxidation from the pyrites. Addition of NaEtX to the acidic and basic solutions enhanced the removal of oxidation from pyrite surfaces. Pretreatment with sulfur dioxide further enhanced the removal of surface oxidation in the presence of NaEtX. Surface oxidation was typically less on mineral pyrite than coal pyrite surfaces following identical treatments. The flotation recoveries of the pyrites in the presence of NaEtX are greatest for the pyrites with the least amount of surface oxidation.

Chemical state analysis of heavily phosphorus-doped epitaxial silicon films grown on Si (1 0 0) by X-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Lee, Minhyeong; Kim, Sungtae; Ko, Dae-Hong

2018-06-01

In this work, we investigated the chemical bonding states in highly P-doped Si thin films epitaxially grown on Si (0 0 1) substrates using high-resolution X-ray photoelectron spectroscopy (HR-XPS). HR-XPS P 2p core-level spectra clearly show spin-orbital splitting between P 2p1/2 and P 2p3/2 peaks in Si films doped with a high concentration of P. Moreover, the intensities of P 2p1/2 and P 2p3/2 peaks for P-doped Si films increase with P concentrations, while their binding energies remained almost identical. These results indicate that more P atoms are incorporated into the substitutional sites of the Si lattice with the increase of P concentrations. In order to identify the chemical states of P-doped Si films shown in XPS Si 2p spectra, the spectra of bulk Si were subtracted from those of Si:P samples, which enables us to clearly identify the new chemical state related to Sisbnd P bonds. We observed that the presence of the two well-resolved new peaks only for the Si:P samples at the binding energy higher than those of a Sisbnd Si bond, which is due to the strong electronegativity of P than that of Si. Experimental findings in this study using XPS open up new doors for evaluating the chemical states of P-doped Si materials in fundamental researches as well as in industrial applications.

On the Weak-Wind Problem in Massive Stars: X-Ray Spectra Reveal a Massive Hot Wind in mu Columbae

NASA Technical Reports Server (NTRS)

Huenemoerder, David P.; Oskinova, Lidia M.; Ignace, Richard; Waldron, Wayne L.; Todt, Helge; Hamaguchi, Kenji; Kitamoto, Shunji

2012-01-01

Mu Columbae is a prototypical weak-wind O star for which we have obtained a high-resolution X-ray spectrum with the Chandra LETG/ACIS instrument and a low-resolution spectrum with Suzaku. This allows us, for the first time, to investigate the role of X-rays on the wind structure in a bona fide weak-wind system and to determine whether there actually is a massive hot wind. The X-ray emission measure indicates that the outflow is an order of magnitude greater than that derived from UV lines and is commensurate with the nominal wind-luminosity relationship for O stars. Therefore, the "weak-wind problem"--identified from cool wind UV/optical spectra--is largely resolved by accounting for the hot wind seen in X-rays. From X-ray line profiles, Doppler shifts, and relative strengths, we find that this weak-wind star is typical of other late O dwarfs. The X-ray spectra do not suggest a magnetically confined plasma-the spectrum is soft and lines are broadened; Suzaku spectra confirm the lack of emission above 2 keV. Nor do the relative line shifts and widths suggest any wind decoupling by ions. The He-like triplets indicate that the bulk of the X-ray emission is formed rather close to the star, within five stellar radii. Our results challenge the idea that some OB stars are "weak-wind" stars that deviate from the standard wind-luminosity relationship. The wind is not weak, but it is hot and its bulk is only detectable in X-rays.

Optimization of tungsten x-ray spectra for digital mammography: a comparison of model to experiment

NASA Astrophysics Data System (ADS)

Andre, Michael P.; Spivey, Brett A.

1997-05-01

Tungsten (W) target x-rays tubes are being studied for use in digital mammography to improve x-ray flux, reduce noise and increase tube heat capacity. A parametric model was developed for digital mammography to evaluate optimization of x-ray spectra for a particular sensor. The model computes spectra and mean glandular doses (MGD) for combinations of W target, beam filters, kVp, breast type and thickness. Two figures of merit were defined: (signal/noise)2/MGD and spectral quantum efficiency; these were computed as a means to approach optimization of object contrast. The model is derived from a combination of classic equations, XCOM from NBS, and published data. X-ray spectra were calculated and measured for filters of Al, Sn, Rh, Mo and Ag on a Eureka tube. (Signal/noise)2/MGD was measured for a filtered W target tube and a digital camera employing CsI scintillator optically coupled to a CCD for which the detective quantum efficiency (DQE) was known. A 3-mm thick acrylic disk was imaged on thickness of 3-8 cm of acrylic and the results were compared to the predictions of the model. The relative error between predicted and measured spectra was +/- 2 percent from 24 to 34 kVp. Calculated MGD as a function of breast thickness, half-value layer and beam filter compares very well to published data. Best performance was found for the following combinations: Mo filter with 30 mm breast, Ag filter with 45 mm, Sn filter for 60 mm, and Al filter for 75 mm thick breast. The parametric model agrees well with measurement and provides a means to explore optimum combinations of kVp and beam filter. For a particular detector, this data may be used with the DQE to estimate total system signal-to-noise ratio for a particular imaging task.

A model of tungsten anode x-ray spectra.

PubMed

Hernández, G; Fernández, F

2016-08-01

A semiempirical model for x-ray production in tungsten thick-targets was evaluated using a new characterization of electron fluence. Electron fluence is modeled taking into account both the energy and angular distributions, each of them adjusted to Monte Carlo simulated data. Distances were scaled by the CSDA range to reduce the energy dependence. Bremsstrahlung production was found by integrating the cross section with the fluence in a 1D penetration model. Characteristic radiation was added using a semiempirical law whose validity was checked. The results were compared the experimental results of Bhat et al., with the SpekCalc numerical tool, and with mcnpx simulation results from the work of Hernandez and Boone. The model described shows better agreement with the experimental results than the SpekCalc predictions in the sense of area between the spectra. A general improvement of the predictions of half-value layers is also found. The results are also in good agreement with the simulation results in the 50-640 keV energy range. A complete model for x-ray production in thick bremsstrahlung targets has been developed, improving the results of previous works and extending the energy range covered to the 50-640 keV interval.

A model of tungsten anode x-ray spectra

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hernández, G.; Fernández, F., E-mail: fdz@usal.es

2016-08-15

Purpose: A semiempirical model for x-ray production in tungsten thick-targets was evaluated using a new characterization of electron fluence. Methods: Electron fluence is modeled taking into account both the energy and angular distributions, each of them adjusted to Monte Carlo simulated data. Distances were scaled by the CSDA range to reduce the energy dependence. Bremsstrahlung production was found by integrating the cross section with the fluence in a 1D penetration model. Characteristic radiation was added using a semiempirical law whose validity was checked. The results were compared the experimental results of Bhat et al., with the SpekCalc numerical tool, andmore » with MCNPX simulation results from the work of Hernandez and Boone. Results: The model described shows better agreement with the experimental results than the SpekCalc predictions in the sense of area between the spectra. A general improvement of the predictions of half-value layers is also found. The results are also in good agreement with the simulation results in the 50–640 keV energy range. Conclusions: A complete model for x-ray production in thick bremsstrahlung targets has been developed, improving the results of previous works and extending the energy range covered to the 50–640 keV interval.« less

High resolution X-ray photoelectron spectroscopy of styrene oxide adsorption and reaction on Ag(1 1 1)

NASA Astrophysics Data System (ADS)

Piao, H.; Enever, M. C. N.; Adib, K.; Hrbek, J.; Barteau, M. A.

2004-11-01

Synchrotron-based X-ray photoelectron spectroscopy (XPS) has been used to investigate the adsorption and reaction of styrene oxide on Ag(1 1 1). When adsorption is carried out at 250 K or above, ring opening of styrene oxide forms a stable surface oxametallacycle intermediate which eventually reacts at 485 K to regenerate styrene oxide. High resolution XPS is capable of distinguishing the oxametallacycle from molecularly adsorbed and condensed styrene oxide on the basis of different C1s peak separations. The observed separations are well accounted for by the results of DFT calculations.

Comparison of simulated and measured spectra from an X-ray tube for the energies between 20 and 35 keV

NASA Astrophysics Data System (ADS)

Yücel, M.; Emirhan, E.; Bayrak, A.; Ozben, C. S.; Yücel, E. Barlas

2015-11-01

Design and production of a simple and low cost X-ray imaging system that can be used for light industrial applications was targeted in the Nuclear Physics Laboratory of Istanbul Technical University. In this study, production, transmission and detection of X-rays were simulated for the proposed imaging device. OX/70-P dental tube was used and X-ray spectra simulated by Geant4 were validated by comparison with X-ray spectra measured between 20 and 35 keV. Relative detection efficiency of the detector was also determined to confirm the physics processes used in the simulations. Various time optimization tools were performed to reduce the simulation time.

Internal structure of InP/ZnS nanocrystals unraveled by high-resolution soft X-ray photoelectron spectroscopy.

PubMed

Huang, Kai; Demadrille, Renaud; Silly, Mathieu G; Sirotti, Fausto; Reiss, Peter; Renault, Olivier

2010-08-24

High-energy resolution photoelectron spectroscopy (DeltaE < 200 meV) is used to investigate the internal structure of semiconductor quantum dots containing low Z-contrast elements. In InP/ZnS core/shell nanocrystals synthesized using a single-step procedure (core and shell precursors added at the same time), a homogeneously alloyed InPZnS core structure is evidenced by quantitative analysis of their In3d(5/2) spectra recorded at variable excitation energy. When using a two-step method (core InP nanocrystal synthesis followed by subsequent ZnS shell growth), XPS analysis reveals a graded core/shell interface. We demonstrate the existence of In-S and S(x)-In-P(1-x) bonding states in both types of InP/ZnS nanocrystals, which allows a refined view on the underlying reaction mechanisms.

X-Ray Spectra from MHD Simulations of Accreting Black Holes

NASA Technical Reports Server (NTRS)

Schnittman, Jeremy D.; Krolik, Julian H.; Noble, Scott C.

2012-01-01

We present the results of a new global radiation transport code coupled to a general relativistic magneto-hydrodynamic simulation of an accreting, nonrotating black hole. For the first time, we are able to explain from first principles in a self-consistent way the X-ray spectra observed from stellar-mass black holes, including a thermal peak, Compton reflection hump, power-law tail, and broad iron line. Varying only the mass accretion rate, we are able to reproduce the low/hard, steep power-law, and thermal-dominant states seen in most galactic black hole sources. The temperature in the corona is T(sub e) 10 keV in a boundary layer near the disk and rises smoothly to T(sub e) greater than or approximately 100 keV in low-density regions far above the disk. Even as the disk's reflection edge varies from the horizon out to approximately equal to 6M as the accretion rate decreases, we find that the shape of the Fe Ka line is remarkably constant. This is because photons emitted from the plunging region are strongly beamed into the horizon and never reach the observer. We have also carried out a basic timing analysis of the spectra and find that the fractional variability increases with photon energy and viewer inclination angle, consistent with the coronal hot spot model for X-ray fluctuations.

Investigation of nanoparticulate silicon as printed layers using scanning electron microscopy, transmission electron microscopy, X-ray absorption spectroscopy and X-ray photoelectron spectroscopy

DOE PAGES

Unuigbe, David M.; Harting, Margit; Jonah, Emmanuel O.; ...

2017-08-21

The presence of native oxide on the surface of silicon nanoparticles is known to inhibit charge transport on the surfaces. Scanning electron microscopy (SEM) studies reveal that the particles in the printed silicon network have a wide range of sizes and shapes. High-resolution transmission electron microscopy reveals that the particle surfaces have mainly the (111)- and (100)-oriented planes which stabilizes against further oxidation of the particles. X-ray absorption spectroscopy (XANES) and X-ray photoelectron spectroscopy (XPS) measurements at the O 1s-edge have been utilized to study the oxidation and local atomic structure of printed layers of silicon nanoparticles which were milledmore » for different times. XANES results reveal the presence of the +4 (SiO 2) oxidation state which tends towards the +2 (SiO) state for higher milling times. Si 2pXPS results indicate that the surfaces of the silicon nanoparticles in the printed layers are only partially oxidized and that all three sub-oxide, +1 (Si 2O), +2 (SiO) and +3 (Si 2O 3), states are present. The analysis of the change in the sub-oxide peaks of the silicon nanoparticles shows the dominance of the +4 state only for lower milling times.« less

Reduction of Vanadium Oxide (VOx) under High Vacuum Conditions as Investigated by X-Ray Photoelectron Spectroscopy

NASA Astrophysics Data System (ADS)

Chourasia, A.

2015-03-01

Vanadium oxide thin films were formed by depositing thin films of vanadium on quartz substrates and oxidizing them in an atmosphere of oxygen. The deposition was done by the e-beam technique. The oxide films were annealed at different temperatures for different times under high vacuum conditions. The technique of x-ray photoelectron spectroscopy has been employed to study the changes in the oxidation states of vanadium and oxygen in such films. The spectral features in the vanadium 2p, oxygen 1s, and the x-ray excited Auger regions were investigated. The Auger parameter has been utilized to study the changes. The complete oxidation of elemental vanadium to V2O5 was observed to occur at 700°C. At any other temperature, a mixture of oxides consisting of V2O5 and VO2 was observed in the films. Annealing of the films resulted in the gradual loss of oxygen followed by reduction in the oxidation state from +5 to 0. The reduction was observed to depend upon the annealing temperature and the annealing time. Organized Research, TAMU-Commerce.

Tungsten anode spectral model using interpolating cubic splines: unfiltered x-ray spectra from 20 kV to 640 kV.

PubMed

Hernandez, Andrew M; Boone, John M

2014-04-01

Monte Carlo methods were used to generate lightly filtered high resolution x-ray spectra spanning from 20 kV to 640 kV. X-ray spectra were simulated for a conventional tungsten anode. The Monte Carlo N-Particle eXtended radiation transport code (MCNPX 2.6.0) was used to produce 35 spectra over the tube potential range from 20 kV to 640 kV, and cubic spline interpolation procedures were used to create piecewise polynomials characterizing the photon fluence per energy bin as a function of x-ray tube potential. Using these basis spectra and the cubic spline interpolation, 621 spectra were generated at 1 kV intervals from 20 to 640 kV. The tungsten anode spectral model using interpolating cubic splines (TASMICS) produces minimally filtered (0.8 mm Be) x-ray spectra with 1 keV energy resolution. The TASMICS spectra were compared mathematically with other, previously reported spectra. Using pairedt-test analyses, no statistically significant difference (i.e., p > 0.05) was observed between compared spectra over energy bins above 1% of peak bremsstrahlung fluence. For all energy bins, the correlation of determination (R(2)) demonstrated good correlation for all spectral comparisons. The mean overall difference (MOD) and mean absolute difference (MAD) were computed over energy bins (above 1% of peak bremsstrahlung fluence) and over all the kV permutations compared. MOD and MAD comparisons with previously reported spectra were 2.7% and 9.7%, respectively (TASMIP), 0.1% and 12.0%, respectively [R. Birch and M. Marshall, "Computation of bremsstrahlung x-ray spectra and comparison with spectra measured with a Ge(Li) detector," Phys. Med. Biol. 24, 505-517 (1979)], 0.4% and 8.1%, respectively (Poludniowski), and 0.4% and 8.1%, respectively (AAPM TG 195). The effective energy of TASMICS spectra with 2.5 mm of added Al filtration ranged from 17 keV (at 20 kV) to 138 keV (at 640 kV); with 0.2 mm of added Cu filtration the effective energy was 9 keV at 20 kV and 169 keV at 640 k

Tungsten anode spectral model using interpolating cubic splines: Unfiltered x-ray spectra from 20 kV to 640 kV

PubMed Central

Hernandez, Andrew M.; Boone, John M.

2014-01-01

Purpose: Monte Carlo methods were used to generate lightly filtered high resolution x-ray spectra spanning from 20 kV to 640 kV. Methods: X-ray spectra were simulated for a conventional tungsten anode. The Monte Carlo N-Particle eXtended radiation transport code (MCNPX 2.6.0) was used to produce 35 spectra over the tube potential range from 20 kV to 640 kV, and cubic spline interpolation procedures were used to create piecewise polynomials characterizing the photon fluence per energy bin as a function of x-ray tube potential. Using these basis spectra and the cubic spline interpolation, 621 spectra were generated at 1 kV intervals from 20 to 640 kV. The tungsten anode spectral model using interpolating cubic splines (TASMICS) produces minimally filtered (0.8 mm Be) x-ray spectra with 1 keV energy resolution. The TASMICS spectra were compared mathematically with other, previously reported spectra. Results: Using paired t-test analyses, no statistically significant difference (i.e., p > 0.05) was observed between compared spectra over energy bins above 1% of peak bremsstrahlung fluence. For all energy bins, the correlation of determination (R2) demonstrated good correlation for all spectral comparisons. The mean overall difference (MOD) and mean absolute difference (MAD) were computed over energy bins (above 1% of peak bremsstrahlung fluence) and over all the kV permutations compared. MOD and MAD comparisons with previously reported spectra were 2.7% and 9.7%, respectively (TASMIP), 0.1% and 12.0%, respectively [R. Birch and M. Marshall, “Computation of bremsstrahlung x-ray spectra and comparison with spectra measured with a Ge(Li) detector,” Phys. Med. Biol. 24, 505–517 (1979)], 0.4% and 8.1%, respectively (Poludniowski), and 0.4% and 8.1%, respectively (AAPM TG 195). The effective energy of TASMICS spectra with 2.5 mm of added Al filtration ranged from 17 keV (at 20 kV) to 138 keV (at 640 kV); with 0.2 mm of added Cu filtration the effective energy was 9 ke

Tungsten anode spectral model using interpolating cubic splines: Unfiltered x-ray spectra from 20 kV to 640 kV

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hernandez, Andrew M.; Boone, John M., E-mail: john.boone@ucdmc.ucdavis.edu

Purpose: Monte Carlo methods were used to generate lightly filtered high resolution x-ray spectra spanning from 20 kV to 640 kV. Methods: X-ray spectra were simulated for a conventional tungsten anode. The Monte Carlo N-Particle eXtended radiation transport code (MCNPX 2.6.0) was used to produce 35 spectra over the tube potential range from 20 kV to 640 kV, and cubic spline interpolation procedures were used to create piecewise polynomials characterizing the photon fluence per energy bin as a function of x-ray tube potential. Using these basis spectra and the cubic spline interpolation, 621 spectra were generated at 1 kV intervalsmore » from 20 to 640 kV. The tungsten anode spectral model using interpolating cubic splines (TASMICS) produces minimally filtered (0.8 mm Be) x-ray spectra with 1 keV energy resolution. The TASMICS spectra were compared mathematically with other, previously reported spectra. Results: Using pairedt-test analyses, no statistically significant difference (i.e., p > 0.05) was observed between compared spectra over energy bins above 1% of peak bremsstrahlung fluence. For all energy bins, the correlation of determination (R{sup 2}) demonstrated good correlation for all spectral comparisons. The mean overall difference (MOD) and mean absolute difference (MAD) were computed over energy bins (above 1% of peak bremsstrahlung fluence) and over all the kV permutations compared. MOD and MAD comparisons with previously reported spectra were 2.7% and 9.7%, respectively (TASMIP), 0.1% and 12.0%, respectively [R. Birch and M. Marshall, “Computation of bremsstrahlung x-ray spectra and comparison with spectra measured with a Ge(Li) detector,” Phys. Med. Biol. 24, 505–517 (1979)], 0.4% and 8.1%, respectively (Poludniowski), and 0.4% and 8.1%, respectively (AAPM TG 195). The effective energy of TASMICS spectra with 2.5 mm of added Al filtration ranged from 17 keV (at 20 kV) to 138 keV (at 640 kV); with 0.2 mm of added Cu filtration the effective

X-ray stars observed in LAMOST spectral survey

NASA Astrophysics Data System (ADS)

Lu, Hong-peng; Zhang, Li-yun; Han, Xianming L.; Shi, Jianrong

2018-05-01

X-ray stars have been studied since the beginning of X-ray astronomy. Investigating and studying the chromospheric activity from X-ray stellar optical spectra is highly significant in providing insights into stellar magnetic activity. The big data of LAMOST survey provides an opportunity for researching stellar optical spectroscopic properties of X-ray stars. We inferred the physical properties of X-ray stellar sources from the analysis of LAMOST spectra. First, we cross-matched the X-ray stellar catalogue (12254 X-ray stars) from ARXA with LAMOST data release 3 (DR3), and obtained 984 good spectra from 713 X-ray sources. We then visually inspected and assigned spectral type to each spectrum and calculated the equivalent width (EW) of Hα line using the Hammer spectral typing facility. Based on the EW of Hα line, we found 203 spectra of 145 X-ray sources with Hα emission above the continuum. For these spectra we also measured the EWs of Hβ, Hγ, Hδ and Ca ii IRT lines of these spectra. After removing novae, planetary nebulae and OB-type stars, we found there are 127 X-ray late-type stars with Hα line emission. By using our spectra and results from the literature, we found 53 X-ray stars showing Hα variability; these objects are Classical T Tauri stars (CTTs), cataclysmic variables (CVs) or chromospheric activity stars. We also found 18 X-ray stars showing obvious emissions in the Ca ii IRT lines. Of the 18 X-ray stars, 16 are CTTs and 2 are CVs. Finally, we discussed the relationships between the EW of Hα line and X-ray flux.

Generation and analysis of clinically relevant breast imaging x-ray spectra.

PubMed

Hernandez, Andrew M; Seibert, J Anthony; Nosratieh, Anita; Boone, John M

2017-06-01

The purpose of this work was to develop and make available x-ray spectra for some of the most widely used digital mammography (DM), breast tomosynthesis (BT), and breast CT (bCT) systems in North America. The Monte Carlo code MCNP6 was used to simulate minimally filtered (only beryllium) x-ray spectra at 8 tube potentials from 20 to 49 kV for DM/BT, and 9 tube potentials from 35 to 70 kV for bCT. Vendor-specific anode compositions, effective anode angles, focal spot sizes, source-to-detector distances, and beryllium filtration were simulated. For each 0.5 keV energy bin in all simulated spectra, the fluence was interpolated using cubic splines across the range of simulated tube potentials to produce spectra in 1 kV increments from 20 to 49 kV for DM/BT and from 35 to 70 kV for bCT. The HVL of simulated spectra with conventional filtration (at 35 kV for DM/BT and 49 kV for bCT) was used to assess spectral differences resulting from variations in: (a) focal spot size (0.1 and 0.3 mm IEC), (b) solid angle at the detector (i.e., small and large FOV size), and (c) geometrical specifications for vendors that employ the same anode composition. Averaged across all DM/BT vendors, variations in focal spot and FOV size resulted in HVL differences of 2.2% and 0.9%, respectively. Comparing anode compositions separately, the HVL differences for Mo (GE, Siemens) and W (Hologic, Philips, and Siemens) spectra were 0.3% and 0.6%, respectively. Both the commercial Koning and prototype "Doheny" (UC Davis) bCT systems utilize W anodes with a 0.3 mm focal spot. Averaged across both bCT systems, variations in FOV size resulted in a 2.2% difference in HVL. In addition, the Koning spectrum was slightly harder than Doheny with a 4.2% difference in HVL. Therefore to reduce redundancy, a generic DM/BT system and a generic bCT system were used to generate the new spectra reported herein. The spectral models for application to DM/BT were dubbed the Molybdenum, Rhodium, and Tungsten Anode

In Situ X-Ray Photoelectron Spectroscopy of Model Catalysts: At the Edge of the Gap

NASA Astrophysics Data System (ADS)

Blomberg, S.; Hoffmann, M. J.; Gustafson, J.; Martin, N. M.; Fernandes, V. R.; Borg, A.; Liu, Z.; Chang, R.; Matera, S.; Reuter, K.; Lundgren, E.

2013-03-01

We present high-pressure x-ray photoelectron spectroscopy (HP-XPS) and first-principles kinetic Monte Carlo study addressing the nature of the active surface in CO oxidation over Pd(100). Simultaneously measuring the chemical composition at the surface and in the near-surface gas phase, we reveal both O-covered pristine Pd(100) and a surface oxide as stable, highly active phases in the near-ambient regime accessible to HP-XPS. Surprisingly, no adsorbed CO can be detected during high CO2 production rates, which can be explained by a combination of a remarkably short residence time of the CO molecule on the surface and mass-transfer limitations in the present setup.

Monte Carlo derivation of filtered tungsten anode X-ray spectra for dose computation in digital mammography*

PubMed Central

Paixão, Lucas; Oliveira, Bruno Beraldo; Viloria, Carolina; de Oliveira, Marcio Alves; Teixeira, Maria Helena Araújo; Nogueira, Maria do Socorro

2015-01-01

Objective Derive filtered tungsten X-ray spectra used in digital mammography systems by means of Monte Carlo simulations. Materials and Methods Filtered spectra for rhodium filter were obtained for tube potentials between 26 and 32 kV. The half-value layer (HVL) of simulated filtered spectra were compared with those obtained experimentally with a solid state detector Unfors model 8202031-H Xi R/F & MAM Detector Platinum and 8201023-C Xi Base unit Platinum Plus w mAs in a Hologic Selenia Dimensions system using a direct radiography mode. Results Calculated HVL values showed good agreement as compared with those obtained experimentally. The greatest relative difference between the Monte Carlo calculated HVL values and experimental HVL values was 4%. Conclusion The results show that the filtered tungsten anode X-ray spectra and the EGSnrc Monte Carlo code can be used for mean glandular dose determination in mammography. PMID:26811553

Characterization of aluminum nitride based films with high resolution X-ray fluorescence spectroscopy

NASA Astrophysics Data System (ADS)

Anagnostopoulos, D. F.; Siozios, A.; Patsalas, P.

2018-02-01

X-ray fluorescence spectra of Al based films are measured, using a lab-scale wavelength dispersive flat crystal spectrometer. Various structures of AlN films were studied, like single layered, capped, stratified, nanostructured, crystalline, or amorphous. By optimizing the set-up for enhanced energy resolution and detection efficiency, the measured line shapes of Κα, Kβ, and KLL radiative Auger transitions are shown to be adequately detailed to allow chemical characterization. The chemistry identification is based on the pattern comparison of the emitted line shape from the chemically unknown film and the reference line shapes from standard materials, recorded under identical experimental conditions. The ultimate strength of lab-scale high resolution X-ray fluorescence spectroscopy on film analysis is verified, in cases that ordinary applied techniques like X-ray photoelectron and X-ray diffraction fail, while the characterization refers to the non-destructive determination of the bulk properties of the film and not to its surface, as the probed depth is in the micrometer range.

Steep Hard-X-ray Spectra Indicate Extremely High Accretion Rates in Weak Emission-Line Quasars

NASA Astrophysics Data System (ADS)

Marlar, Andrea; Shemmer, Ohad; Anderson, Scott F.; Brandt, W. Niel; Diamond-Stanic, Aleksandar M.; Fan, Xiaohui; Luo, Bin; Plotkin, Richard; Richards, Gordon T.; Schneider, Donald P.; Wu, Jianfeng

2018-06-01

We present XMM-Newton imaging spectroscopy of ten weak emission-line quasars (WLQs) at 0.928 ≤ z ≤ 3.767, six of which are radio quiet and four which are radio intermediate. The new X-ray data enabled us to measure the hard-X-ray power-law photon index (Γ) in each source with relatively high accuracy. These measurements allowed us to confirm previous reports that WLQs have steeper X-ray spectra, therefore indicating higher accretion rates with respect to "typical" quasars. A comparison between the Γ values of our radio-quiet WLQs and those of a carefully-selected, uniform sample of 84 quasars shows that the first are significantly higher, at the ≥ 3σ level. Collectively, the four radio-intermediate WLQs have lower Γ values with respect to the six radio-quiet WLQs, as may be expected if the spectra of the first group are contaminated by X-ray emission from a jet. These results suggest that, in the absence of significant jet emission along our line of sight, WLQs constitute the extreme high end of the accretion rate distribution in quasars. We detect soft excess emission in our lowest-redshift radio-quiet WLQ, in agreement with previous findings suggesting that the prominence of this feature is associated with a high accretion rate. We have not detected signatures of Compton reflection, Fe Kα lines, or strong variability between two X-ray epochs in any of our WLQs.

X-ray spectra and atmospheric structures of bursting neutron stars

NASA Technical Reports Server (NTRS)

Ebisuzaki, Toshikazu

1987-01-01

Atmospheric structures and emitted X-ray spectra of bursting neutron stars are investigated. Theoretical curves are fitted to observational ones on the color temperature vs. luminosity diagram and two relations among mass, radius, and distance of the bursters are obtained. The fit of the theoretical curve to observations is statistically acceptable. Two possible sets of mass, radius, and distance to the X-ray bursts source MXB 1636-536 are derived, taking into account absorption lines at 4.1 keV, theoretical mass-radius relations of neutron star models, and the distance to the Galactic center. If the absorption line is due to Cr XX III, then M = 1.7-2.0 solar masses, R = 11-12 km, and d = 6.3-6.7 kpc, and if it is due to Fe XXV, then M = 1.8-2.1 solar masses, R = 8-10 km, and d = 5.8-6,4 kpc. The distance to the Galactic center is almost the same as that to MXB 1636-536.

Estimation of identification limit for a small-type OSL dosimeter on the medical images by measurement of X-ray spectra.

PubMed

Takegami, Kazuki; Hayashi, Hiroaki; Okino, Hiroki; Kimoto, Natsumi; Maehata, Itsumi; Kanazawa, Yuki; Okazaki, Tohru; Hashizume, Takuya; Kobayashi, Ikuo

2016-07-01

Our aim in this study is to derive an identification limit on a dosimeter for not disturbing a medical image when patients wear a small-type optically stimulated luminescence (OSL) dosimeter on their bodies during X-ray diagnostic imaging. For evaluation of the detection limit based on an analysis of X-ray spectra, we propose a new quantitative identification method. We performed experiments for which we used diagnostic X-ray equipment, a soft-tissue-equivalent phantom (1-20 cm), and a CdTe X-ray spectrometer assuming one pixel of the X-ray imaging detector. Then, with the following two experimental settings, corresponding X-ray spectra were measured with 40-120 kVp and 0.5-1000 mAs at a source-to-detector distance of 100 cm: (1) X-rays penetrating a soft-tissue-equivalent phantom with the OSL dosimeter attached directly on the phantom, and (2) X-rays penetrating only the soft-tissue-equivalent phantom. Next, the energy fluence and errors in the fluence were calculated from the spectra. When the energy fluence with errors concerning these two experimental conditions was estimated to be indistinctive, we defined the condition as the OSL dosimeter not being identified on the X-ray image. Based on our analysis, we determined the identification limit of the dosimeter. We then compared our results with those for the general irradiation conditions used in clinics. We found that the OSL dosimeter could not be identified under the irradiation conditions of abdominal and chest radiography, namely, one can apply the OSL dosimeter to measurement of the exposure dose in the irradiation field of X-rays without disturbing medical images.

Using measured 30-150 kVp polychromatic tungsten x-ray spectra to determine ion chamber calibration factors, Nx (Gy C(-1)).

PubMed

Mercier, J R; Kopp, D T; McDavid, W D; Dove, S B; Lancaster, J L; Tucker, D M

2000-10-01

Two methods for determining ion chamber calibration factors (Nx) are presented for polychromatic tungsten x-ray beams whose spectra differ from beams with known Nx. Both methods take advantage of known x-ray fluence and kerma spectral distributions. In the first method, the x-ray tube potential is unchanged and spectra of differing filtration are measured. A primary standard ion chamber with known Nx for one beam is used to calculate the x-ray fluence spectrum of a second beam. Accurate air energy absorption coefficients are applied to the x-ray fluence spectra of the second beam to calculate actual air kerma and Nx. In the second method, two beams of differing tube potential and filtration with known Nx are used to bracket a beam of unknown Nx. A heuristically derived Nx interpolation scheme based on spectral characteristics of all three beams is described. Both methods are validated. Both methods improve accuracy over the current half value layer Nx estimating technique.

Probing interfacial characteristics of rubrene/pentacene and pentacene/rubrene bilayers with soft X-ray spectroscopy.

PubMed

Seo, J H; Pedersen, T M; Chang, G S; Moewes, A; Yoo, K-H; Cho, S J; Whang, C N

2007-08-16

The electronic structure of rubrene/pentacene and pentacene/rubrene bilayers has been investigated using soft X-ray absorption spectroscopy, resonant X-ray emission spectroscopy, and density-functional theory calculations. X-ray absorption and emission measurements reveal that it has been possible to alter the lowest unoccupied and the highest occupied molecular orbital states of rubrene in rubrene/pentacene bilayer. In the reverse case, one gets p* molecular orbital states originating from the pentacene layer. Resonant X-ray emission spectra suggest a reduction in the hole-transition probabilities for the pentacene/rubrene bilayer in comparison to reference pentacene layer. For the rubrenepentacene structure, the hole-transition probability shows an increase in comparison to the rubrene reference. We also determined the energy level alignment of the pentacene-rubrene interface by using X-ray and ultraviolet photoelectron spectroscopy. From these comparisons, it is found that the electronic structure of the pentacene-rubrene interface has a strong dependence on interface characteristics which depends on the order of the layers used.

Observation of soft X-ray spectra from a Seyfert 1 and a narrow emission-line galaxy

NASA Technical Reports Server (NTRS)

Singh, K. P.; Garmire, G. P.; Nousek, J.

1985-01-01

The 0.2-40 keV X-ray spectra of the Seyfert 1 galaxy Mrk 509 and the narrow emission-line galaxy NGC 2992 are analyzed. The results suggest the presence of a steep soft X-ray component in Mrk 509 in addition to the well-known Gamma = 1.7 component found in other active galactic nuclei in the 2-40 keV energy range. The soft X-ray component is interpreted as due to thermal emission from a hot gas, probably associated with the highly ionized gas observed to be outflowing from the galaxy. The X-ray spectrum of NGC 2992 does not show any steepening in the soft X-ray band and is consistent with a single power law (Gamma = 1.78) with very low absorbing column density of 4 x 10 to the 21st/sq cm. A model with partial covering of the nuclear X-ray source is preferred, however, to a simple model with a single power law and absorption.

Spectroscopic imaging, diffraction, and holography with x-ray photoemission

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1992-02-01

X-ray probes are capable of determining the spatial structure of an atom in a specific chemical state, over length scales from about a micron all the way down to atomic resolution. Examples of these probes include photoemission microscopy, energy-dependent photoemission diffraction, photoelectron holography, and X-ray absorption microspectroscopy. Although the method of image formation, chemical-state sensitivity, and length scales can be very different, these X-ray techniques share a common goal of combining a capability for structure determination with chemical-state specificity. This workshop will address recent advances in holographic, diffraction, and direct imaging techniques using X-ray photoemission on both theoretical and experimentalmore » fronts. A particular emphasis will be on novel structure determinations with atomic resolution using photoelectrons.« less

X-rays and gamma-rays from accretion flows onto black holes in Seyferts and X-ray binaries

NASA Technical Reports Server (NTRS)

Zdziarski, Andrzej A.; Johnson, W. Neil; Poutanen, Juri; Magdziarz, Pawel; Gierlinski, Marek

1997-01-01

Observations and theoretical models of X-ray/gamma ray spectra of radio quiet Seyfert galaxies and Galactic black hole candidates are reviewed. The spectra from these objects share the following characteristics: an underlying power law with a high energy cutoff above 200 keV; a Compton reflection component with a Fe K alpha line, and a low energy absorption by intervening cold matter. The X-ray energy spectral index, alpha, is typically in the range between 0.8 and 1 in Seyfert spectra, and that of the hard state spectra of the black hole candidates Cygnus X-1 and GX 339-4 is typically between 0.6 and 0.8. The Compton reflection component corresponds with cold matter covering a solid angle of between 0.8pi and 2pi as seen from the X-ray source. The broadband spectra of both classes of sources are well fitted by Compton upscattering of soft photons in thermal plasma. The fits yield a thermal plasma temperature of 100 keV and the Thomson optical depth of 1. All the spectra presented are cut off before the electron rest energy 511 keV, indicating that electron/positron pair production is an important process.

ON THE WEAK-WIND PROBLEM IN MASSIVE STARS: X-RAY SPECTRA REVEAL A MASSIVE HOT WIND IN {mu} COLUMBAE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huenemoerder, David P.; Oskinova, Lidia M.; Todt, Helge

2012-09-10

{mu} Columbae is a prototypical weak-wind O star for which we have obtained a high-resolution X-ray spectrum with the Chandra LETG/ACIS instrument and a low-resolution spectrum with Suzaku. This allows us, for the first time, to investigate the role of X-rays on the wind structure in a bona fide weak-wind system and to determine whether there actually is a massive hot wind. The X-ray emission measure indicates that the outflow is an order of magnitude greater than that derived from UV lines and is commensurate with the nominal wind-luminosity relationship for O stars. Therefore, the {sup w}eak-wind problem{sup -}identified frommore » cool wind UV/optical spectra-is largely resolved by accounting for the hot wind seen in X-rays. From X-ray line profiles, Doppler shifts, and relative strengths, we find that this weak-wind star is typical of other late O dwarfs. The X-ray spectra do not suggest a magnetically confined plasma-the spectrum is soft and lines are broadened; Suzaku spectra confirm the lack of emission above 2 keV. Nor do the relative line shifts and widths suggest any wind decoupling by ions. The He-like triplets indicate that the bulk of the X-ray emission is formed rather close to the star, within five stellar radii. Our results challenge the idea that some OB stars are 'weak-wind' stars that deviate from the standard wind-luminosity relationship. The wind is not weak, but it is hot and its bulk is only detectable in X-rays.« less

Microgap x-ray detector

DOEpatents

Wuest, Craig R.; Bionta, Richard M.; Ables, Elden

1994-01-01

An x-ray detector which provides for the conversion of x-ray photons into photoelectrons and subsequent amplification of these photoelectrons through the generation of electron avalanches in a thin gas-filled region subject to a high electric potential. The detector comprises a cathode (photocathode) and an anode separated by the thin, gas-filled region. The cathode may comprise a substrate, such a beryllium, coated with a layer of high atomic number material, such as gold, while the anode can be a single conducting plane of material, such as gold, or a plane of resistive material, such as chromium/silicon monoxide, or multiple areas of conductive or resistive material, mounted on a substrate composed of glass, plastic or ceramic. The charge collected from each electron avalanche by the anode is passed through processing electronics to a point of use, such as an oscilloscope.

Symmetry adapted cluster-configuration interaction calculation of the photoelectron spectra of famous biological active steroids

NASA Astrophysics Data System (ADS)

Abyar, Fatemeh; Farrokhpour, Hossein

2014-11-01

The photoelectron spectra of some famous steroids, important in biology, were calculated in the gas phase. The selected steroids were 5α-androstane-3,11,17-trione, 4-androstane-3,11,17-trione, cortisol, cortisone, corticosterone, dexamethasone, estradiol and cholesterol. The calculations were performed employing symmetry-adapted cluster/configuration interaction (SAC-CI) method using the 6-311++G(2df,pd) basis set. The population ratios of conformers of each steroid were calculated and used for simulating the photoelectron spectrum of steroid. It was found that more than one conformer contribute to the photoelectron spectra of some steroids. To confirm the calculated photoelectron spectra, they compared with their corresponding experimental spectra. There were no experimental gas phase Hesbnd I photoelectron spectra for some of the steroids of this work in the literature and their calculated spectra can show a part of intrinsic characteristics of this molecules in the gas phase. The canonical molecular orbitals involved in the ionization of each steroid were calculated at the HF/6-311++g(d,p) level of theory. The spectral bands of each steroid were assigned by natural bonding orbital (NBO) calculations. Knowing the electronic structures of steroids helps us to understand their biological activities and find which sites of steroid become active when a modification is performing under a biological pathway.

Photoelectron diffraction from single oriented molecules: Towards ultrafast structure determination of molecules using x-ray free-electron lasers

NASA Astrophysics Data System (ADS)

Kazama, Misato; Fujikawa, Takashi; Kishimoto, Naoki; Mizuno, Tomoya; Adachi, Jun-ichi; Yagishita, Akira

2013-06-01

We provide a molecular structure determination method, based on multiple-scattering x-ray photoelectron diffraction (XPD) calculations. This method is applied to our XPD data on several molecules having different equilibrium geometries. Then it is confirmed that, by our method, bond lengths and bond angles can be determined with a resolution of less than 0.1 Å and 10∘, respectively. Differently from any other scenario of ultrafast structure determination, we measure the two- or three-dimensional XPD of aligned or oriented molecules in the energy range from 100 to 200 eV with a 4π detection velocity map imaging spectrometer. Thanks to the intense and ultrashort pulse properties of x-ray free-electron lasers, our approach exhibits the most probable method for obtaining ultrafast real-time structural information on small to medium-sized molecules consisting of light elements, i.e., a “molecular movie.”

Evidences for dry deintercalation in layered compounds upon controlled surface charging in x-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Feldman, Y.; Zak, A.; Tenne, R.; Cohen, H.

2003-09-01

Pronounced surface diffusion is observed during x-ray photoelectron spectroscopy measurements of 2H platelets and inorganic fullerene-like (IF) MS2 (M=W,Mo) powders, intercalated with alkaline (A=K,Na) elements. Using controlled surface charging the intercalants migrate towards the surface, where they oxidize. This dry deintercalation is controllable via external charging parameters, yet showing that internal chemical and structural parameters play an important role in the process. Diffusion rates out of 2H matrixes are generally higher than in corresponding IF samples. Clear differences are also found between Mo and W-based systems. Application of this approach into surface modification and processing is proposed.

Sub-nanosecond time-resolved ambient-pressure X-ray photoelectron spectroscopy setup for pulsed and constant wave X-ray light sources

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shavorskiy, Andrey; Slaughter, Daniel S.; Zegkinoglou, Ioannis

2014-09-15

An apparatus for sub-nanosecond time-resolved ambient-pressure X-ray photoelectron spectroscopy studies with pulsed and constant wave X-ray light sources is presented. A differentially pumped hemispherical electron analyzer is equipped with a delay-line detector that simultaneously records the position and arrival time of every single electron at the exit aperture of the hemisphere with ∼0.1 mm spatial resolution and ∼150 ps temporal accuracy. The kinetic energies of the photoelectrons are encoded in the hit positions along the dispersive axis of the two-dimensional detector. Pump-probe time-delays are provided by the electron arrival times relative to the pump pulse timing. An average time-resolution ofmore » (780 ± 20) ps (FWHM) is demonstrated for a hemisphere pass energy E{sub p} = 150 eV and an electron kinetic energy range KE = 503–508 eV. The time-resolution of the setup is limited by the electron time-of-flight (TOF) spread related to the electron trajectory distribution within the analyzer hemisphere and within the electrostatic lens system that images the interaction volume onto the hemisphere entrance slit. The TOF spread for electrons with KE = 430 eV varies between ∼9 ns at a pass energy of 50 eV and ∼1 ns at pass energies between 200 eV and 400 eV. The correlation between the retarding ratio and the TOF spread is evaluated by means of both analytical descriptions of the electron trajectories within the analyzer hemisphere and computer simulations of the entire trajectories including the electrostatic lens system. In agreement with previous studies, we find that the by far dominant contribution to the TOF spread is acquired within the hemisphere. However, both experiment and computer simulations show that the lens system indirectly affects the time resolution of the setup to a significant extent by inducing a strong dependence of the angular spread of electron trajectories entering the hemisphere on the retarding ratio. The scaling of the

Modification of the TASMIP x-ray spectral model for the simulation of microfocus x-ray sources

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sisniega, A.; Vaquero, J. J., E-mail: juanjose.vaquero@uc3m.es; Instituto de Investigación Sanitaria Gregorio Marañón, Madrid ES28007

2014-01-15

Purpose: The availability of accurate and simple models for the estimation of x-ray spectra is of great importance for system simulation, optimization, or inclusion of photon energy information into data processing. There is a variety of publicly available tools for estimation of x-ray spectra in radiology and mammography. However, most of these models cannot be used directly for modeling microfocus x-ray sources due to differences in inherent filtration, energy range and/or anode material. For this reason the authors propose in this work a new model for the simulation of microfocus spectra based on existing models for mammography and radiology, modifiedmore » to compensate for the effects of inherent filtration and energy range. Methods: The authors used the radiology and mammography versions of an existing empirical model [tungsten anode spectral model interpolating polynomials (TASMIP)] as the basis of the microfocus model. First, the authors estimated the inherent filtration included in the radiology model by comparing the shape of the spectra with spectra from the mammography model. Afterwards, the authors built a unified spectra dataset by combining both models and, finally, they estimated the parameters of the new version of TASMIP for microfocus sources by calibrating against experimental exposure data from a microfocus x-ray source. The model was validated by comparing estimated and experimental exposure and attenuation data for different attenuating materials and x-ray beam peak energy values, using two different x-ray tubes. Results: Inherent filtration for the radiology spectra from TASMIP was found to be equivalent to 1.68 mm Al, as compared to spectra obtained from the mammography model. To match the experimentally measured exposure data the combined dataset required to apply a negative filtration of about 0.21 mm Al and an anode roughness of 0.003 mm W. The validation of the model against real acquired data showed errors in exposure and

Beam Damage of HS (CH2)15 COOH Terminated Self Assembled Monolayer (SAM) as Observed by X-Ray Photoelectron Spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Engelhard, Mark H.; Tarasevich, Barbara J.; Baer, Donald R.

2011-10-25

XPS spectra of HS(CH{sub 2}){sub 15} COOH terminated a self assembled monolayer (SAM)sample was collected over a period of 242 minutes to determine specimen damage during long exposures to monochromatic Al Ka x-rays. For this COOH terminated SAM we measured the loss of oxygen as a function of time by rastering a focused 100 W, 100 um diameter x-ray beam over a 1.4 mm x 0.2 mm area of the sample.

Measurement and validation of benchmark-quality thick-target tungsten X-ray spectra below 150 kVp.

PubMed

Mercier, J R; Kopp, D T; McDavid, W D; Dove, S B; Lancaster, J L; Tucker, D M

2000-11-01

Pulse-height distributions of two constant potential X-ray tubes with fixed anode tungsten targets were measured and unfolded. The measurements employed quantitative alignment of the beam, the use of two different semiconductor detectors (high-purity germanium and cadmium-zinc-telluride), two different ion chamber systems with beam-specific calibration factors, and various filter and tube potential combinations. Monte Carlo response matrices were generated for each detector for unfolding the pulse-height distributions into spectra incident on the detectors. These response matrices were validated for the low error bars assigned to the data. A significant aspect of the validation of spectra, and a detailed characterization of the X-ray tubes, involved measuring filtered and unfiltered beams at multiple tube potentials (30-150 kVp). Full corrections to ion chamber readings were employed to convert normalized fluence spectra into absolute fluence spectra. The characterization of fixed anode pitting and its dominance over exit window plating and/or detector dead layer was determined. An Appendix of tabulated benchmark spectra with assigned error ranges was developed for future reference.

New Spectral Model for Constraining Torus Covering Factors from Broadband X-Ray Spectra of Active Galactic Nuclei

NASA Astrophysics Data System (ADS)

Baloković, M.; Brightman, M.; Harrison, F. A.; Comastri, A.; Ricci, C.; Buchner, J.; Gandhi, P.; Farrah, D.; Stern, D.

2018-02-01

The basic unified model of active galactic nuclei (AGNs) invokes an anisotropic obscuring structure, usually referred to as a torus, to explain AGN obscuration as an angle-dependent effect. We present a new grid of X-ray spectral templates based on radiative transfer calculations in neutral gas in an approximately toroidal geometry, appropriate for CCD-resolution X-ray spectra (FWHM ≥ 130 eV). Fitting the templates to broadband X-ray spectra of AGNs provides constraints on two important geometrical parameters of the gas distribution around the supermassive black hole: the average column density and the covering factor. Compared to the currently available spectral templates, our model is more flexible, and capable of providing constraints on the main torus parameters in a wider range of AGNs. We demonstrate the application of this model using hard X-ray spectra from NuSTAR (3–79 keV) for four AGNs covering a variety of classifications: 3C 390.3, NGC 2110, IC 5063, and NGC 7582. This small set of examples was chosen to illustrate the range of possible torus configurations, from disk-like to sphere-like geometries with column densities below, as well as above, the Compton-thick threshold. This diversity of torus properties challenges the simple assumption of a standard geometrically and optically thick toroidal structure commonly invoked in the basic form of the unified model of AGNs. Finding broad consistency between our constraints and those from infrared modeling, we discuss how the approach from the X-ray band complements similar measurements of AGN structures at other wavelengths.

Final-state effect on x-ray photoelectron spectrum of nominally d1 and n -doped d0 transition-metal oxides

NASA Astrophysics Data System (ADS)

Lin, Chungwei; Posadas, Agham; Hadamek, Tobias; Demkov, Alexander A.

2015-07-01

We investigate the x-ray photoelectron spectroscopy (XPS) of nominally d1 and n -doped d0 transition-metal oxides including NbO2,SrVO3, and LaTiO3 (nominally d1), as well as n -doped SrTiO3 (nominally d0). In the case of single phase d1 oxides, we find that the XPS spectra (specifically photoelectrons from Nb 3 d , V 2 p , Ti 2 p core levels) all display at least two, and sometimes three distinct components, which can be consistently identified as d0,d1, and d2 oxidation states (with decreasing order in binding energy). Electron doping increases the d2 component but decreases the d0 component, whereas hole doping reverses this trend; a single d1 peak is never observed, and the d0 peak is always present even in phase-pure samples. In the case of n -doped SrTiO3, the d1 component appears as a weak shoulder with respect to the main d0 peak. We argue that these multiple peaks should be understood as being due to the final-state effect and are intrinsic to the materials. Their presence does not necessarily imply the existence of spatially localized ions of different oxidation states nor of separate phases. A simple model is provided to illustrate this interpretation, and several experiments are discussed accordingly. The key parameter to determine the relative importance between the initial-state and final-state effects is also pointed out.

New Insights into the X-Ray Spectra of Heliumlike and Neonlike Ions

NASA Technical Reports Server (NTRS)

Beiersdorfer, P.; Chen, H.; Hey, D.; Osterheld, A. L.; May, M. J.

2002-01-01

Recent measurements of the K-shell and L-shell x-ray spectra of highly charged helium- like and neonlike ions are presented that were performed on the Livermore electron beam ion traps and the Princeton tokamaks. These measurements provide new insights into collisional and indirect line formation processes, identifications of forbidden lines, and a new plasma line diagnostic of magnetic field strength.

Polarization-dependent X-ray photoemission spectroscopy for High-Tc cuprate superconductors

NASA Astrophysics Data System (ADS)

Yamagami, Kohei; Kanai, Yuina; Naimen, Sho; Fujiwara, Hidenori; Kiss, Takayuki; Tanaka, Arata; Higashiya, Atsushi; Imada, Shin; Kadono, Toshiharu; Tamasaku, Kenji; Muro, Takayuki; Yabashi, Makina; Ishikawa, Tetsuya; Eisaki, Hiroshi; Miyasaka, Shigeki; Tajima, Setsuko; Sekiyama, Akira

2018-05-01

We have performed photon energy (hν) and linear polarization dependent X-ray photoemission for optimal doped Pb-Bi2Sr2CaCu2O8+δ (Bi2212) to investigate the ground Cu 3d orbital symmetry. We identified that the bulk Cu 3d components in valence-band spectra develop with decreasing hν from 7900 eV to 460 eV. Moreover, the photoelectron intensity ratio of the valence-band spectra measured at hν = 460 eV has shown that the Cu 3dx2-y2 orbital contributions are dominant near the Fermi level (EF). Meanwhile, we revealed that the bulk Cu 2p3/2 core-level spectra without the Bi 4s component is detected at hν = 1550 eV compared with hν and linear-polarization-dependent spectra.

Broadband X-ray spectra of the ultraluminous X-ray source Holmberg IX X-1 observed with NuSTAR, XMM-Newton, and Suzaku

DOE Office of Scientific and Technical Information (OSTI.GOV)

Walton, D. J.; Harrison, F. A.; Grefenstette, B. W.

2014-09-20

We present results from the coordinated broadband X-ray observations of the extreme ultraluminous X-ray source Holmberg IX X-1 performed by NuSTAR, XMM-Newton, and Suzaku in late 2012. These observations provide the first high-quality spectra of Holmberg IX X-1 above 10 keV to date, extending the X-ray coverage of this remarkable source up to ∼30 keV. Broadband observations were undertaken at two epochs, between which Holmberg IX X-1 exhibited both flux and strong spectral variability, increasing in luminosity from L {sub X} = (1.90 ± 0.03) × 10{sup 40} erg s{sup –1} to L {sub X} = (3.35 ± 0.03) ×more » 10{sup 40} erg s{sup –1}. Neither epoch exhibits a spectrum consistent with emission from the standard low/hard accretion state seen in Galactic black hole binaries, which would have been expected if Holmberg IX X-1 harbors a truly massive black hole accreting at substantially sub-Eddington accretion rates. The NuSTAR data confirm that the curvature observed previously in the 3-10 keV bandpass does represent a true spectral cutoff. During each epoch, the spectrum appears to be dominated by two optically thick thermal components, likely associated with an accretion disk. The spectrum also shows some evidence for a nonthermal tail at the highest energies, which may further support this scenario. The available data allow for either of the two thermal components to dominate the spectral evolution, although both scenarios require highly nonstandard behavior for thermal accretion disk emission.« less

Auger electron and X-ray photoelectron spectroscopic study of the biocorrosion of copper by alginic acid polysaccharide

NASA Astrophysics Data System (ADS)

Jolley, John G.; Geesey, Gill G.; Hankins, Michael R.; Wright, Randy B.; Wichlacz, Paul L.

1989-08-01

Thin films (3.4 nm) of copper on germanium substrates were exposed to 2% alginic acid polysaccharide aqueous solution. Pre- and post-exposure characterization were done by Auger electron spectroscopy and X-ray photoelectron spectroscopy. Ancillary graphite furnace atomic absorption spectroscopy was used to monitor the removal process of the copper thin film from the germanium substrate. Results indicate that some of the copper was oxidized by the alginic acid solution. Some of the copper was removed from the Cu/Ge interface and incorporated into the polymer matrix. Thus, biocorrosion of copper was exhibited by the alginic acid polysaccharide.

Laser plasma x-ray source for ultrafast time-resolved x-ray absorption spectroscopy

DOE PAGES

Miaja-Avila, L.; O'Neil, G. C.; Uhlig, J.; ...

2015-03-02

We describe a laser-driven x-ray plasma source designed for ultrafast x-ray absorption spectroscopy. The source is comprised of a 1 kHz, 20 W, femtosecond pulsed infrared laser and a water target. We present the x-ray spectra as a function of laser energy and pulse duration. Additionally, we investigate the plasma temperature and photon flux as we vary the laser energy. We obtain a 75 μm FWHM x-ray spot size, containing ~10 6 photons/s, by focusing the produced x-rays with a polycapillary optic. Since the acquisition of x-ray absorption spectra requires the averaging of measurements from >10 7 laser pulses, wemore » also present data on the source stability, including single pulse measurements of the x-ray yield and the x-ray spectral shape. In single pulse measurements, the x-ray flux has a measured standard deviation of 8%, where the laser pointing is the main cause of variability. Further, we show that the variability in x-ray spectral shape from single pulses is low, thus justifying the combining of x-rays obtained from different laser pulses into a single spectrum. Finally, we show a static x-ray absorption spectrum of a ferrioxalate solution as detected by a microcalorimeter array. Altogether, our results demonstrate that this water-jet based plasma source is a suitable candidate for laboratory-based time-resolved x-ray absorption spectroscopy experiments.« less

Evaluation of band alignment of α-Ga2O3/α-(Al x Ga1‑ x )2O3 heterostructures by X-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Uchida, Takayuki; Jinno, Riena; Takemoto, Shu; Kaneko, Kentaro; Fujita, Shizuo

2018-04-01

The band alignment at an α-Ga2O3/α-(Al x Ga1‑ x )2O3 heterointerface, with different Al compositions (x), grown on a c-plane sapphire substrate was evaluated by X-ray photoelectron spectroscopy. The experimental results show that the heterointerface has the type-I band discontinuity with the valence band offsets of 0.090, 0.12, and 0.14 eV, and the conduction band offsets of 0.34, 0.79, and 1.87 eV, for x values of 0.1, 0.4, and 0.8, respectively. The small band offset for the valence band is attributed to the fact that the valence band of oxides is constituted by the localized O 2p level, which is dominated by the nature of oxygen atoms. The type-I band discontinuity is desirable for a variety of heterostructure devices.

Comparison between X-rays spectra and their effective energies in small animal CT tomographic imaging and dosimetry.

PubMed

Hamdi, Mahdjoub; Mimi, Malika; Bentourkia, M'hamed

2017-03-01

Small animal CT imaging and dosimetry usually rely on X-ray radiation produced by X-ray tubes. These X-rays typically cover a large energy range. In this study, we compared poly-energetic X-ray spectra against estimated equivalent (effective) mono-energetic beams with the same number of simulated photons for small animal CT imaging and dosimetry applications. Two poly-energetic X-ray spectra were generated from a tungsten anode at 50 and 120 kVp. The corresponding effective mono-energetic beams were established as 36 keV for the 50 kVp spectrum and 49.5 keV for the 120 kVp spectrum. To assess imaging applications, we investigated the spatial resolution by a tungsten wire, and the contrast-to-noise ratio in a reference phantom and in a realistic mouse phantom. For dosimetry investigation, we calculated the absorbed dose in a segmented digital mouse atlas in the skin, fat, heart and bone tissues. Differences of 2.1 and 2.6% in spatial resolution were respectively obtained between the 50 and 120 kVp poly-energetic spectra and their respective 36 and 49.5 keV mono-energetic beams. The differences in contrast-to-noise ratio between the poly-energetic 50 kVp spectrum and its corresponding mono-energetic 36 keV beam for air, fat, brain and bone were respectively -2.9, -0.2, 11.2 and -4.8%, and similarly between the 120 kVp and its effective energy 49.5 keV: -11.3, -20.2, -4.2 and -13.5%. Concerning the absorbed dose, for the lower X-ray beam energies, 50 kVp against 36 keV, the poly-energetic radiation doses were higher than the mono-energetic doses. Instead, for the higher X-ray beam energies, 120 kVp and 49.5 keV, the absorbed dose to the bones and lungs were higher for the mono-energetic 49.5 keV. The intensity and energy of the X-ray beam spectrum have an impact on both imaging and dosimetry in small animal studies. Simulations with mono-energetic beams should take into account these differences in order to study biological effects or to be compared to

The surface of 1-euro coins studied by X-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Gou, F.; Gleeson, M. A.; Villette, J.; Kleyn, S. E. F.; Kleyn, A. W.

2004-03-01

The two alloy surfaces (pill and ring) that are present on 1-euro coins have been studied by X-ray photoelectron spectroscopy (XPS). Comparison is made between coins from general circulation and coin surfaces that have been subjected to a variety of cleaning and oxidation treatments. The concentrations and possible oxidation states of the metals (nickel, copper and zinc) at the surface were derived from analysis of the 2p 3/2 core levels. The surface atomic ratios measured for the pill and the ring parts of the euro coins were compared to the official bulk ratios. This study shows a clear nickel enrichment of both pill and ring surfaces. Nickel at surface seems to be present mainly in hydroxide form although the chloride form cannot be excluded. A small concentration of zinc was present on the surface of the pill, even though it is not present in the bulk alloy. Evidence of both nickel and zinc surface enrichment is observed for the ring. No surface enrichment is observed for the atomically clean or oxidized alloy surfaces over a 60-h time scale.

Microgap x-ray detector

DOEpatents

Wuest, C.R.; Bionta, R.M.; Ables, E.

1994-05-03

An x-ray detector is disclosed which provides for the conversion of x-ray photons into photoelectrons and subsequent amplification of these photoelectrons through the generation of electron avalanches in a thin gas-filled region subject to a high electric potential. The detector comprises a cathode (photocathode) and an anode separated by the thin, gas-filled region. The cathode may comprise a substrate, such a beryllium, coated with a layer of high atomic number material, such as gold, while the anode can be a single conducting plane of material, such as gold, or a plane of resistive material, such as chromium/silicon monoxide, or multiple areas of conductive or resistive material, mounted on a substrate composed of glass, plastic or ceramic. The charge collected from each electron avalanche by the anode is passed through processing electronics to a point of use, such as an oscilloscope. 3 figures.

Combined soft and hard X-ray ambient pressure photoelectron spectroscopy studies of semiconductor/electrolyte interfaces

DOE PAGES

Starr, David E.; Favaro, Marco; Abdi, Fatwa F.; ...

2017-05-18

The development of solar fuel generating materials would greatly benefit from a molecular level understanding of the semiconductor/electrolyte interface and changes in the interface induced by an applied potential and illumination by solar light. Ambient pressure photoelectron spectroscopy techniques with both soft and hard X-rays, AP-XPS and AP-HAXPES respectively, have the potential to markedly contribute to this understanding. In this paper we initially provide two examples of current challenges in solar fuels material development that AP-XPS and AP-HAXPES can directly a ddress. This will be followed by a brief description of the distinguishing and complementary characteristics of soft and hardmore » X-ray AP-XPS and AP-HAXPES and best approaches to achieving monolayer sensitivity in solid/aqueous electrolyte studies. In particular we focus on the detection of surface adsorbed hydroxyl groups in the presence of aqueous hydroxide anions in the electrolyte, a common situation when investigating photoanodes for solar fuel generating applications. Finally, the article concludes by providing an example of a combined AP-XPS and AP-HAXPES study of a semiconductor/aqueous electrolyte interface currently used in water splitting devices specifically the BiVO 4/aqueous potassium phosphate electrolyte interface.« less

Band alignment of 2D WS2/HfO2 interfaces from x-ray photoelectron spectroscopy and first-principles calculations

NASA Astrophysics Data System (ADS)

Zhu, H. L.; Zhou, C. J.; Tang, B. S.; Yang, W. F.; Chai, J. W.; Tay, W. L.; Gong, H.; Pan, J. S.; Zou, W. D.; Wang, S. J.; Chi, D. Z.

2018-04-01

We report on the growth of two-dimensional (2D) WS2 on high-k HfO2/Si substrates by reactive sputtering deposition. Raman, x-ray photoelectron spectroscopy (XPS), and high-resolution transmission electron microscopy characterizations indicate that the 2D WS2 layers exhibit high-quality crystallinity and exact stoichiometry. Through high-resolution XPS valence spectra, we find a type I alignment at the interface of monolayer WS2/HfO2 with a valence band offset (VBO) of 1.95 eV and a conduction band offset (CBO) of 1.57 eV. The VBO and CBO are also found to increase up to 2.24 eV and 2.09 eV, respectively, with increasing WS2 layers. This is consistent with the results obtained from our first-principles calculations. Our theoretical calculations reveal that the remarkable splitting and shift of the W 5 d z 2 orbital originating from interlayer orbital coupling in thicker WS2 films induce a reduction of its bandgap, leading to an increase in both the VBO and CBO. This observation can be attributed to the asymmetric splitting at different high symmetric k-points caused by the interlayer orbital coupling.

Scanning electron and atomic force microscopy, and raman and x-ray photoelectron spectroscopy characterization of near-isogenic soft and hard wheat kernels and corresponding flours

USDA-ARS?s Scientific Manuscript database

Atomic force microscopy (AFM), Raman spectroscopy and X-ray photoelectron spectroscopy (XPS) are used to investigate vitreous (hard) and non-vitreous (soft) wheat kernels and their corresponding wheat flours. AFM data reveal two different microstructures. The vitreous kernel reveals a granular text...

Angularly resolved X-ray photoelectron spectroscopy investigation of PTFE after prolonged space exposure

NASA Technical Reports Server (NTRS)

Dalins, I.; Karimi, M.

1992-01-01

Monochromatized angularly resolved X-ray photoelectron spectroscopy (ARXPS) was used to study PTFE (Teflon) that had been exposed to an earth orbital environment for approximately six years. The primary interest of the research is on a very reactive component of this environment (atomic oxygen) which, because of the typical orbital velocities of a spacecraft, impinge on exposed surfaces with 5 eV energy. This presentation deals with the method of analysis, the findings as they pertain to a rather complex carbon, oxygen, and fluorine XPS peak analysis, and the character of the valence bands. An improved bias referencing method, based on ARXPS, is also demonstrated for evaluating specimen charging effects. It was found that the polymer molecule tends to resist the atomic oxygen attack by reorienting itself, so that the most electronegative CF3 groups are facing the incoming hyperthermal oxygen atoms. The implications of these findings to ground-based laboratory studies are discussed.

Structure determination of molecules in an alignment laser field by femtosecond photoelectron diffraction using an X-ray free-electron laser

PubMed Central

Minemoto, Shinichirou; Teramoto, Takahiro; Akagi, Hiroshi; Fujikawa, Takashi; Majima, Takuya; Nakajima, Kyo; Niki, Kaori; Owada, Shigeki; Sakai, Hirofumi; Togashi, Tadashi; Tono, Kensuke; Tsuru, Shota; Wada, Ken; Yabashi, Makina; Yoshida, Shintaro; Yagishita, Akira

2016-01-01

We have successfully determined the internuclear distance of I2 molecules in an alignment laser field by applying our molecular structure determination methodology to an I 2p X-ray photoelectron diffraction profile observed with femtosecond X-ray free electron laser pulses. Using this methodology, we have found that the internuclear distance of the sample I2 molecules in an alignment Nd:YAG laser field of 6 × 1011 W/cm2 is elongated by from 0.18 to 0.30 Å “in average” relatively to the equilibrium internuclear distance of 2.666 Å. Thus, the present experiment constitutes a critical step towards the goal of femtosecond imaging of chemical reactions and opens a new direction for the study of ultrafast chemical reaction in the gas phase. PMID:27934891

High-Resolution X-Ray Spectra of the Symbiotic Star SS73 17

NASA Technical Reports Server (NTRS)

Eze, R. N. C.; Luna, G. J. M.; Smith, R. K.

2010-01-01

SS73 17 was an innocuous Mira-type symbiotic star until the International Gamma-Ray Astrophysics Laboratory and Swift discovered its bright hard X-ray emission, adding it to the small class of "hard X-ray emitting symbiotics." Suzaku observations in 2006 then showed it emits three bright iron lines as well, with little to no emission in the 0.3-2.0 keV bandpass. We present here follow-up observations with the Chandra High Energy Transmission Grating and Suzaku that confirm the earlier detection of strong emission lines of Fe K(alpha) fluorescence, Fe XXV and Fe XXVI but also show significantly more soft X-ray emission. The high-resolution spectrum also shows emission lines of other highly ionized ions as Si xiv and possibly S XVI. In addition, a re-analysis of the 2006 Suzaku data using the latest calibration shows that the hard (15-50 keV) X-ray emission is brighter than previously thought and remains constant in both the 2006 and 2008 data. The G ratio calculated from the Fe xxv lines shows that these lines are thermal, not photoionized, in origin.With the exception of the hard X-ray emission, the spectra from both epochs can be fit using thermal radiation assuming a differential emission measure based on a cooling-flow model combined with a full and partial absorber. We show that acceptable fits can be obtained for all the data in the 1-10 keV band varying only the partial absorber. Based on the temperature and accretion rate, the thermal emission appears to be arising from the boundary layer between the accreting white dwarf and the accretion disk.

X-ray induced dimerization of cinnamic acid: Time-resolved inelastic X-ray scattering study

NASA Astrophysics Data System (ADS)

Inkinen, Juho; Niskanen, Johannes; Talka, Tuomas; Sahle, Christoph J.; Müller, Harald; Khriachtchev, Leonid; Hashemi, Javad; Akbari, Ali; Hakala, Mikko; Huotari, Simo

2015-11-01

A classic example of solid-state topochemical reactions is the ultraviolet-light induced photodimerization of α-trans-cinnamic acid (CA). Here, we report the first observation of an X-ray-induced dimerization of CA and monitor it in situ using nonresonant inelastic X-ray scattering spectroscopy (NRIXS). The time-evolution of the carbon core-electron excitation spectra shows the effects of two X-ray induced reactions: dimerization on a short time-scale and disintegration on a long time-scale. We used spectrum simulations of CA and its dimerization product, α-truxillic acid (TA), to gain insight into the dimerization effects. From the time-resolved spectra, we extracted component spectra and time-dependent weights corresponding to CA and TA. The results suggest that the X-ray induced dimerization proceeds homogeneously in contrast to the dimerization induced by ultraviolet light. We also utilized the ability of NRIXS for direct tomography with chemical-bond contrast to image the spatial progress of the reactions in the sample crystal. Our work paves the way for other time-resolved studies on chemical reactions using inelastic X-ray scattering.

Comparative study of GeO 2/Ge and SiO 2/Si structures on anomalous charging of oxide films upon water adsorption revealed by ambient-pressure X-ray photoelectron spectroscopy

DOE PAGES

Mori, Daichi; Oka, Hiroshi; Hosoi, Takuji; ...

2016-09-02

The energy difference between the oxide and bulk peaks in X-ray photoelectron spectroscopy (XPS) spectra was investigated in this paper for both GeO 2/Ge and SiO 2/Si structures with thickness-controlled water films. This was achieved by obtaining XPS spectra at various values of relative humidity (RH) of up to ~15%. The increase in the energy shift is more significant for thermal GeO 2 on Ge than for thermal SiO 2 on Si above ~10 -4% RH, which is due to the larger amount of water molecules that infiltrate into the GeO 2 film to form hydroxyls. Analyzing the origins ofmore » this energy shift, we propose that the positive charging of a partially hydroxylated GeO 2 film, which is unrelated to X-ray irradiation, causes the larger energy shift for GeO 2/Ge than for SiO 2/Si. A possible microscopic mechanism of this intrinsic positive charging is the emission of electrons from adsorbed water species in the suboxide layer of the GeO 2 film to the Ge bulk, leaving immobile cations or positively charged states in the oxide. Finally, this may be related to the reported negative shift of flat band voltages in metal-oxide-semiconductor diodes with an air-exposed GeO 2 layer.« less

Studies of BL Lacertae objects with the Einstein Observatory - The soft X-ray spectra of OJ 287 and PKS 0735+178

NASA Technical Reports Server (NTRS)

Madejski, Greg M.; Schwartz, Daniel A.

1988-01-01

Accurate, soft X-ray spectra of two BL Lac objects, OJ 287 and PKS 0735+178, are presented. The X-ray spectra are well described by a power-law model with a low-energy cutoff consistent with photoelectric absorption within the Galaxy. The best-fit values of the energy spectral index in the 0.2-4.0 keV band are 0.91 and 0.76 respectively. The X-ray flux from OJ 287 is variable by a ratio of three from low to high state; PKS 0735+178 shows no indication of X-ray variability. The X-ray emission in OJ 287 is interpreted to be due to the synchrotron process from a volume common with either a beamed radio component or a stationary optical component. In PKS 0735+178, where the X-ray emission is most likely due to the Compton process operating in one of the VLBI radio components. The synchrotron self-Compton process with modest kinematic Doppler factors predicts the measured X-ray flux from PKS 0735+178 and lower than the measured flux in OJ 287.

Reference binding energies of transition metal carbides by core-level x-ray photoelectron spectroscopy free from Ar+ etching artefacts

NASA Astrophysics Data System (ADS)

Greczynski, G.; Primetzhofer, D.; Hultman, L.

2018-04-01

We report x-ray photoelectron spectroscopy (XPS) core level binding energies (BE's) for the widely-applicable groups IVb-VIb transition metal carbides (TMCs) TiC, VC, CrC, ZrC, NbC, MoC, HfC, TaC, and WC. Thin film samples are grown in the same deposition system, by dc magnetron co-sputtering from graphite and respective elemental metal targets in Ar atmosphere. To remove surface contaminations resulting from exposure to air during sample transfer from the growth chamber into the XPS system, layers are either (i) Ar+ ion-etched or (ii) UHV-annealed in situ prior to XPS analyses. High resolution XPS spectra reveal that even gentle etching affects the shape of core level signals, as well as BE values, which are systematically offset by 0.2-0.5 eV towards lower BE. These destructive effects of Ar+ ion etch become more pronounced with increasing the metal atom mass due to an increasing carbon-to-metal sputter yield ratio. Systematic analysis reveals that for each row in the periodic table (3d, 4d, and 5d) C 1s BE increases from left to right indicative of a decreased charge transfer from TM to C atoms, hence bond weakening. Moreover, C 1s BE decreases linearly with increasing carbide/metal melting point ratio. Spectra reported here, acquired from a consistent set of samples in the same instrument, should serve as a reference for true deconvolution of complex XPS cases, including multinary carbides, nitrides, and carbonitrides.

SpekCalc: a program to calculate photon spectra from tungsten anode x-ray tubes.

PubMed

Poludniowski, G; Landry, G; DeBlois, F; Evans, P M; Verhaegen, F

2009-10-07

A software program, SpekCalc, is presented for the calculation of x-ray spectra from tungsten anode x-ray tubes. SpekCalc was designed primarily for use in a medical physics context, for both research and education purposes, but may also be of interest to those working with x-ray tubes in industry. Noteworthy is the particularly wide range of tube potentials (40-300 kVp) and anode angles (recommended: 6-30 degrees) that can be modelled: the program is therefore potentially of use to those working in superficial/orthovoltage radiotherapy, as well as diagnostic radiology. The utility is free to download and is based on a deterministic model of x-ray spectrum generation (Poludniowski 2007 Med. Phys. 34 2175). Filtration can be applied for seven materials (air, water, Be, Al, Cu, Sn and W). In this note SpekCalc is described and illustrative examples are shown. Predictions are compared to those of a state-of-the-art Monte Carlo code (BEAMnrc) and, where possible, to an alternative, widely-used, spectrum calculation program (IPEM78).

New Observations of Soft X-ray (0.5-5 keV) Solar Spectra

NASA Astrophysics Data System (ADS)

Caspi, A.; Woods, T. N.; Mason, J. P.; Jones, A. R.; Warren, H. P.

2013-12-01

The solar corona is the brightest source of X-rays in the solar system, and the X-ray emission is highly variable on many time scales. However, the actual solar soft X-ray (SXR) (0.5-5 keV) spectrum is not well known, particularly during solar quiet periods, as, with few exceptions, this energy range has not been systematically studied in many years. Previous observations include high-resolution but very narrow-band spectra from crystal spectrometers (e.g., Yohkoh/BCS), or integrated broadband irradiances from photometers (e.g., GOES/XRS, TIMED/XPS, etc.) that lack detailed spectral information. In recent years, broadband measurements with moderate energy resolution (~0.5-0.7 keV FWHM) were made by SphinX on CORONAS-Photon and SAX on MESSENGER, although they did not extend to energies below ~1 keV. We present observations of solar SXR emission obtained using new instrumentation flown on recent SDO/EVE calibration rocket underflights. The photon-counting spectrometer, a commercial Amptek X123 with a silicon drift detector and an 8 μm Be window, measures the solar disk-integrated SXR emission from ~0.5 to >10 keV with ~0.15 keV FWHM resolution and 1 s cadence. A novel imager, a pinhole X-ray camera using a cooled frame-transfer CCD (15 μm pixel pitch), Ti/Al/C filter, and 5000 line/mm Au transmission grating, images the full Sun in multiple spectral orders from ~0.1 to ~5 nm with ~10 arcsec/pixel and ~0.01 nm/pixel spatial and spectral detector scales, respectively, and 10 s cadence. These instruments are prototypes for future CubeSat missions currently being developed. We present new results of solar observations on 04 October 2013 (NASA sounding rocket 36.290). We compare with previous results from 23 June 2012 (NASA sounding rocket 36.286), during which solar activity was low and no signal was observed above ~4 keV. We compare our spectral and imaging measurements with spectra and broadband irradiances from other instruments, including SDO/EVE, GOES/XRS, TIMED

Vacuum space charge effects in sub-picosecond soft X-ray photoemission on a molecular adsorbate layer

DOE PAGES

Dell'Angela, M.; Anniyev, T.; Beye, M.; ...

2015-03-01

Vacuum space charge-induced kinetic energy shifts of O 1s and Ru 3d core levels in femtosecond soft X-ray photoemission spectra (PES) have been studied at a free electron laser (FEL) for an oxygen layer on Ru(0001). We fully reproduced the measurements by simulating the in-vacuum expansion of the photoelectrons and demonstrate the space charge contribution of the high-order harmonics in the FEL beam. Employing the same analysis for 400 nm pump-X-ray probe PES, we can disentangle the delay dependent Ru 3d energy shifts into effects induced by space charge and by lattice heating from the femtosecond pump pulse.

Vacuum space charge effects in sub-picosecond soft X-ray photoemission on a molecular adsorbate layer.

PubMed

Dell'Angela, M; Anniyev, T; Beye, M; Coffee, R; Föhlisch, A; Gladh, J; Kaya, S; Katayama, T; Krupin, O; Nilsson, A; Nordlund, D; Schlotter, W F; Sellberg, J A; Sorgenfrei, F; Turner, J J; Öström, H; Ogasawara, H; Wolf, M; Wurth, W

2015-03-01

Vacuum space charge induced kinetic energy shifts of O 1s and Ru 3d core levels in femtosecond soft X-ray photoemission spectra (PES) have been studied at a free electron laser (FEL) for an oxygen layer on Ru(0001). We fully reproduced the measurements by simulating the in-vacuum expansion of the photoelectrons and demonstrate the space charge contribution of the high-order harmonics in the FEL beam. Employing the same analysis for 400 nm pump-X-ray probe PES, we can disentangle the delay dependent Ru 3d energy shifts into effects induced by space charge and by lattice heating from the femtosecond pump pulse.

Restricted active space calculations of L-edge X-ray absorption spectra: from molecular orbitals to multiplet states.

PubMed

Pinjari, Rahul V; Delcey, Mickaël G; Guo, Meiyuan; Odelius, Michael; Lundberg, Marcus

2014-09-28

The metal L-edge (2p → 3d) X-ray absorption spectra are affected by a number of different interactions: electron-electron repulsion, spin-orbit coupling, and charge transfer between metal and ligands, which makes the simulation of spectra challenging. The core restricted active space (RAS) method is an accurate and flexible approach that can be used to calculate X-ray spectra of a wide range of medium-sized systems without any symmetry constraints. Here, the applicability of the method is tested in detail by simulating three ferric (3d(5)) model systems with well-known electronic structure, viz., atomic Fe(3+), high-spin [FeCl6](3-) with ligand donor bonding, and low-spin [Fe(CN)6](3-) that also has metal backbonding. For these systems, the performance of the core RAS method, which does not require any system-dependent parameters, is comparable to that of the commonly used semi-empirical charge-transfer multiplet model. It handles orbitally degenerate ground states, accurately describes metal-ligand interactions, and includes both single and multiple excitations. The results are sensitive to the choice of orbitals in the active space and this sensitivity can be used to assign spectral features. A method has also been developed to analyze the calculated X-ray spectra using a chemically intuitive molecular orbital picture.

Ar 3p photoelectron sideband spectra in two-color XUV + NIR laser fields

NASA Astrophysics Data System (ADS)

Minemoto, Shinichirou; Shimada, Hiroyuki; Komatsu, Kazma; Komatsubara, Wataru; Majima, Takuya; Mizuno, Tomoya; Owada, Shigeki; Sakai, Hirofumi; Togashi, Tadashi; Yoshida, Shintaro; Yabashi, Makina; Yagishita, Akira

2018-04-01

We performed photoelectron spectroscopy using femtosecond XUV pulses from a free-electron laser and femtosecond near-infrared pulses from a synchronized laser, and succeeded in measuring Ar 3p photoelectron sideband spectra due to the two-color above-threshold ionization. In our calculations of the first-order time-dependent perturbation theoretical model based on the strong field approximation, the photoelectron sideband spectra and their angular distributions are well reproduced by considering the timing jitter between the XUV and the NIR pulses, showing that the timing jitter in our experiments was distributed over the width of {1.0}+0.4-0.2 ps. The present approach can be used as a method to evaluate the timing jitter inevitable in FEL experiments.

Pulsator-like Spectra from Ultraluminous X-Ray Sources and the Search for More Ultraluminous Pulsars

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pintore, F.; Mereghetti, S.; Zampieri, L.

2017-02-10

Ultraluminous X-ray sources (ULXs) are a population of extragalactic objects whose luminosity exceeds the Eddington limit for a 10 M {sub ⊙} black hole (BH). Their properties have been widely interpreted in terms of accreting stellar-mass or intermediate-mass BHs. However at least three neutron stars (NSs) have been recently identified in ULXs through the discovery of periodic pulsations. Motivated by these findings we studied the spectral properties of a sample of bright ULXs using a simple continuum model which was extensively used to fit the X-ray spectra of accreting magnetic NSs in the Galaxy. We found that such a model,more » consisting of a power-law with a high-energy exponential cut-off, fits most of the ULX spectra analyzed here very well, at a level comparable to that of models involving an accreting BH. On these grounds alone we suggest that other non-pulsating ULXs may host NSs. We also found that above 2 keV the spectrum of known pulsating ULXs is harder than that of the majority of the other ULXs of the sample, with only IC 342 X-1 and Ho IX X-1 displaying spectra of comparable hardness. We thus suggest that these two ULXs may host an accreting NS and encourage searches for periodic pulsations in the flux.« less

EUV/soft x-ray spectra for low B neutron stars

NASA Technical Reports Server (NTRS)

Romani, Roger W.; Rajagopal, Mohan; Rogers, Forrest J.; Iglesias, Carlos A.

1995-01-01

Recent ROSAT and EUVE detections of spin-powered neutron stars suggest that many emit 'thermal' radiation, peaking in the EUV/soft X-ray band. These data constrain the neutron stars' thermal history, but interpretation requires comparison with model atmosphere computations, since emergent spectra depend strongly on the surface composition and magnetic field. As recent opacity computations show substantial change to absorption cross sections at neutron star photospheric conditions, we report here on new model atmosphere computations employing such data. The results are compared with magnetic atmosphere models and applied to PSR J0437-4715, a low field neutron star.

X-ray photoelectron spectroscopy and paramagnetic resonance evidence for shock-induced intramolecular bond breaking in some energetic solids

NASA Astrophysics Data System (ADS)

Owens, F. J.; Sharma, J.

1980-03-01

Solid samples of 1,3,5, trinitro 1,3,5, triazacyclohexane (RDX), trinitrotoluene (TNT), and ammonium nitrate were subjected to shock pulses of strength and duration less than the threshold to cause detonation. The recovered shocked samples were studied by x-ray photoelectron spectroscopy (XPS) and electron paramagnetic resonance (EPR). The results of these measurements indicate that the shock pulse either broke or altered the internal bonds of the molecules of the solid. The results of the shock decomposition are compared with measurements of the uv and slow thermal decomposition of these materials using the same experimental techniques.

X-ray induced dimerization of cinnamic acid: Time-resolved inelastic X-ray scattering study

PubMed Central

Inkinen, Juho; Niskanen, Johannes; Talka, Tuomas; Sahle, Christoph J.; Müller, Harald; Khriachtchev, Leonid; Hashemi, Javad; Akbari, Ali; Hakala, Mikko; Huotari, Simo

2015-01-01

A classic example of solid-state topochemical reactions is the ultraviolet-light induced photodimerization of α-trans-cinnamic acid (CA). Here, we report the first observation of an X-ray-induced dimerization of CA and monitor it in situ using nonresonant inelastic X-ray scattering spectroscopy (NRIXS). The time-evolution of the carbon core-electron excitation spectra shows the effects of two X-ray induced reactions: dimerization on a short time-scale and disintegration on a long time-scale. We used spectrum simulations of CA and its dimerization product, α-truxillic acid (TA), to gain insight into the dimerization effects. From the time-resolved spectra, we extracted component spectra and time-dependent weights corresponding to CA and TA. The results suggest that the X-ray induced dimerization proceeds homogeneously in contrast to the dimerization induced by ultraviolet light. We also utilized the ability of NRIXS for direct tomography with chemical-bond contrast to image the spatial progress of the reactions in the sample crystal. Our work paves the way for other time-resolved studies on chemical reactions using inelastic X-ray scattering. PMID:26568420

Characterization of photocatalytic TiO 2 powder under varied environments using near ambient pressure X-ray photoelectron spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Krishnan, Padmaja; Liu, Minghui; Itty, Pierre A.

Consecutive eight study phases under the successive presence and absence of UV irradiation, water vapor, and oxygen were conducted to characterize surface changes in the photocatalytic TiO2 powder using near-ambient-pressure X-ray photoelectron spectroscopy (XPS). Both Ti 2p and O 1s spectra show hysteresis through the experimental course. Under all the study environments, the bridging hydroxyl (OH br) and terminal hydroxyl (OH t) are identified at 1.1–1.3 eV and 2.1–2.3 eV above lattice oxygen, respectively. This enables novel and complementary approach to characterize reactivity of TiO 2 powder. The dynamic behavior of surface-bound water molecules under each study environment is identified,more » while maintaining a constant distance of 1.3 eV from the position of water vapor. In the dark, the continual supply of both water vapor and oxygen is the key factor retaining the activated state of the TiO 2 powder for a time period. Two new surface peaks at 1.7–1.8 and 4.0–4.2 eV above lattice oxygen are designated as peroxides (OOH/H 2O 2) and H 2O 2 dissolved in water, respectively. The persistent peroxides on the powder further explain previously observed prolonged oxidation capability of TiO 2 powder without light irradiation.« less

Characterization of photocatalytic TiO 2 powder under varied environments using near ambient pressure X-ray photoelectron spectroscopy

DOE PAGES

Krishnan, Padmaja; Liu, Minghui; Itty, Pierre A.; ...

2017-02-27

Consecutive eight study phases under the successive presence and absence of UV irradiation, water vapor, and oxygen were conducted to characterize surface changes in the photocatalytic TiO2 powder using near-ambient-pressure X-ray photoelectron spectroscopy (XPS). Both Ti 2p and O 1s spectra show hysteresis through the experimental course. Under all the study environments, the bridging hydroxyl (OH br) and terminal hydroxyl (OH t) are identified at 1.1–1.3 eV and 2.1–2.3 eV above lattice oxygen, respectively. This enables novel and complementary approach to characterize reactivity of TiO 2 powder. The dynamic behavior of surface-bound water molecules under each study environment is identified,more » while maintaining a constant distance of 1.3 eV from the position of water vapor. In the dark, the continual supply of both water vapor and oxygen is the key factor retaining the activated state of the TiO 2 powder for a time period. Two new surface peaks at 1.7–1.8 and 4.0–4.2 eV above lattice oxygen are designated as peroxides (OOH/H 2O 2) and H 2O 2 dissolved in water, respectively. The persistent peroxides on the powder further explain previously observed prolonged oxidation capability of TiO 2 powder without light irradiation.« less

The ROSAT Deep Survey. 2; Optical Identification, Photometry and Spectra of X-Ray Sources in the Lockman Field

NASA Technical Reports Server (NTRS)

Schmidt, M.; Hasinger, G.; Gunn, J.; Schneider, D.; Burg, R.; Giacconi, R.; Lehmann, I.; MacKenty, J.; Truemper, J.; Zamorani, G.

1998-01-01

The ROSAT Deep Survey includes a complete sample of 50 X-ray sources with fluxes in the 0.5 - 2 keV band larger than 5.5 x 10(exp -15)erg/sq cm/s in the Lockman field (Hasinger et al., Paper 1). We have obtained deep broad-band CCD images of the field and spectra of many optical objects near the positions of the X-ray sources. We define systematically the process leading to the optical identifications of the X-ray sources. For this purpose, we introduce five identification (ID) classes that characterize the process in each case. Among the 50 X-ray sources, we identify 39 AGNs, 3 groups of galaxies, 1 galaxy and 3 galactic stars. Four X-ray sources remain unidentified so far; two of these objects may have an unusually large ratio of X-ray to optical flux.

On the analysis of photo-electron spectra

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao, C.-Z., E-mail: gao@irsamc.ups-tlse.fr; CNRS, LPT; Dinh, P.M.

2015-09-15

We analyze Photo-Electron Spectra (PES) for a variety of excitation mechanisms from a simple mono-frequency laser pulse to involved combination of pulses as used, e.g., in attosecond experiments. In the case of simple pulses, the peaks in PES reflect the occupied single-particle levels in combination with the given laser frequency. This usual, simple rule may badly fail in the case of excitation pulses with mixed frequencies and if resonant modes of the system are significantly excited. We thus develop an extension of the usual rule to cover all possible excitation scenarios, including mixed frequencies in the attosecond regime. We find thatmore » the spectral distributions of dipole, monopole and quadrupole power for the given excitation taken together and properly shifted by the single-particle energies provide a pertinent picture of the PES in all situations. This leads to the derivation of a generalized relation allowing to understand photo-electron yields even in complex experimental setups.« less

X-ray photoelectron spectroscopic study of the oxide film on an aluminum-tin alloy in 3.5% sodium chloride solution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Venugopal, A.; Selvam, P.; Raja, V.S.

1997-10-01

Oxide films on Al and an Al-Sn alloy were analyzed by x-ray photoelectron spectroscopy (XPS) after immersion in 3.5% sodium chloride (NaCl) solution. Results showed Sn exhibited both Sn{sup 2+} and Sn{sup 4+} oxidation stats in the oxide film. It was proposed that incorporation of these cations in the film would result in generation of more anionic and cationic vacancies in aluminum oxide (Al{sub 2}O{sub 3}), leading to active dissolution of Al.

Attosecond time-energy structure of X-ray free-electron laser pulses

NASA Astrophysics Data System (ADS)

Hartmann, N.; Hartmann, G.; Heider, R.; Wagner, M. S.; Ilchen, M.; Buck, J.; Lindahl, A. O.; Benko, C.; Grünert, J.; Krzywinski, J.; Liu, J.; Lutman, A. A.; Marinelli, A.; Maxwell, T.; Miahnahri, A. A.; Moeller, S. P.; Planas, M.; Robinson, J.; Kazansky, A. K.; Kabachnik, N. M.; Viefhaus, J.; Feurer, T.; Kienberger, R.; Coffee, R. N.; Helml, W.

2018-04-01

The time-energy information of ultrashort X-ray free-electron laser pulses generated by the Linac Coherent Light Source is measured with attosecond resolution via angular streaking of neon 1s photoelectrons. The X-ray pulses promote electrons from the neon core level into an ionization continuum, where they are dressed with the electric field of a circularly polarized infrared laser. This induces characteristic modulations of the resulting photoelectron energy and angular distribution. From these modulations we recover the single-shot attosecond intensity structure and chirp of arbitrary X-ray pulses based on self-amplified spontaneous emission, which have eluded direct measurement so far. We characterize individual attosecond pulses, including their instantaneous frequency, and identify double pulses with well-defined delays and spectral properties, thus paving the way for X-ray pump/X-ray probe attosecond free-electron laser science.

X-ray photoelectron spectroscopy of select multi-layered transition metal carbides (MXenes)

NASA Astrophysics Data System (ADS)

Halim, Joseph; Cook, Kevin M.; Naguib, Michael; Eklund, Per; Gogotsi, Yury; Rosen, Johanna; Barsoum, Michel W.

2016-01-01

In this work, a detailed high resolution X-ray photoelectron spectroscopy (XPS) analysis is presented for select MXenes-a recently discovered family of two-dimensional (2D) carbides and carbonitrides. Given their 2D nature, understanding their surface chemistry is paramount. Herein we identify and quantify the surface groups present before, and after, sputter-cleaning as well as freshly prepared vs. aged multi-layered cold pressed discs. The nominal compositions of the MXenes studied here are Ti3C2Tx, Ti2CTx, Ti3CNTx, Nb2CTx and Nb4C3Tx, where T represents surface groups that this work attempts to quantify. In all the cases, the presence of three surface terminations, sbnd O, sbnd OH and sbnd F, in addition to OH-terminations relatively strongly bonded to H2O molecules, was confirmed. From XPS peak fits, it was possible to establish the average sum of the negative charges of the terminations for the aforementioned MXenes. Based on this work, it is now possible to quantify the nature of the surface terminations. This information can, in turn, be used to better design and tailor these novel 2D materials for various applications.

Improving x-ray fluorescence signal for benchtop polychromatic cone-beam x-ray fluorescence computed tomography by incident x-ray spectrum optimization: A Monte Carlo study

PubMed Central

Manohar, Nivedh; Jones, Bernard L.; Cho, Sang Hyun

2014-01-01

Purpose: To develop an accurate and comprehensive Monte Carlo (MC) model of an experimental benchtop polychromatic cone-beam x-ray fluorescence computed tomography (XFCT) setup and apply this MC model to optimize incident x-ray spectrum for improving production/detection of x-ray fluorescence photons from gold nanoparticles (GNPs). Methods: A detailed MC model, based on an experimental XFCT system, was created using the Monte Carlo N-Particle (MCNP) transport code. The model was validated by comparing MC results including x-ray fluorescence (XRF) and scatter photon spectra with measured data obtained under identical conditions using 105 kVp cone-beam x-rays filtered by either 1 mm of lead (Pb) or 0.9 mm of tin (Sn). After validation, the model was used to investigate the effects of additional filtration of the incident beam with Pb and Sn. Supplementary incident x-ray spectra, representing heavier filtration (Pb: 2 and 3 mm; Sn: 1, 2, and 3 mm) were computationally generated and used with the model to obtain XRF/scatter spectra. Quasimonochromatic incident x-ray spectra (81, 85, 90, 95, and 100 keV with 10 keV full width at half maximum) were also investigated to determine the ideal energy for distinguishing gold XRF signal from the scatter background. Fluorescence signal-to-dose ratio (FSDR) and fluorescence-normalized scan time (FNST) were used as metrics to assess results. Results: Calculated XRF/scatter spectra for 1-mm Pb and 0.9-mm Sn filters matched (r ≥ 0.996) experimental measurements. Calculated spectra representing additional filtration for both filter materials showed that the spectral hardening improved the FSDR at the expense of requiring a much longer FNST. In general, using Sn instead of Pb, at a given filter thickness, allowed an increase of up to 20% in FSDR, more prominent gold XRF peaks, and up to an order of magnitude decrease in FNST. Simulations using quasimonochromatic spectra suggested that increasing source x-ray energy, in the

Improving x-ray fluorescence signal for benchtop polychromatic cone-beam x-ray fluorescence computed tomography by incident x-ray spectrum optimization: a Monte Carlo study.

PubMed

Manohar, Nivedh; Jones, Bernard L; Cho, Sang Hyun

2014-10-01

To develop an accurate and comprehensive Monte Carlo (MC) model of an experimental benchtop polychromatic cone-beam x-ray fluorescence computed tomography (XFCT) setup and apply this MC model to optimize incident x-ray spectrum for improving production/detection of x-ray fluorescence photons from gold nanoparticles (GNPs). A detailed MC model, based on an experimental XFCT system, was created using the Monte Carlo N-Particle (MCNP) transport code. The model was validated by comparing MC results including x-ray fluorescence (XRF) and scatter photon spectra with measured data obtained under identical conditions using 105 kVp cone-beam x-rays filtered by either 1 mm of lead (Pb) or 0.9 mm of tin (Sn). After validation, the model was used to investigate the effects of additional filtration of the incident beam with Pb and Sn. Supplementary incident x-ray spectra, representing heavier filtration (Pb: 2 and 3 mm; Sn: 1, 2, and 3 mm) were computationally generated and used with the model to obtain XRF/scatter spectra. Quasimonochromatic incident x-ray spectra (81, 85, 90, 95, and 100 keV with 10 keV full width at half maximum) were also investigated to determine the ideal energy for distinguishing gold XRF signal from the scatter background. Fluorescence signal-to-dose ratio (FSDR) and fluorescence-normalized scan time (FNST) were used as metrics to assess results. Calculated XRF/scatter spectra for 1-mm Pb and 0.9-mm Sn filters matched (r ≥ 0.996) experimental measurements. Calculated spectra representing additional filtration for both filter materials showed that the spectral hardening improved the FSDR at the expense of requiring a much longer FNST. In general, using Sn instead of Pb, at a given filter thickness, allowed an increase of up to 20% in FSDR, more prominent gold XRF peaks, and up to an order of magnitude decrease in FNST. Simulations using quasimonochromatic spectra suggested that increasing source x-ray energy, in the investigated range of 81-100 ke

Absorbed dose determination using experimental and analytical predictions of x-ray spectra

NASA Astrophysics Data System (ADS)

Edwards, David Lee

1999-10-01

Electron beam welding in a vacuum is a technology that NASA is investigating as a joining technique for manufacture of space structures. The interaction of energetic electrons with metal produces x-rays. This investigation characterizes the x-ray environment due to operation of an in-vacuum electron beam welding tool and provides recommendations for adequate radiation shielding for astronauts performing the in-vacuum electron beam welding. NASA, in a joint venture with the Russian Space Agency, was scheduled to perform a series of welding in space experiments on board the United States Space Shuttle. This series of experiments was named the International Space Welding Experiment (ISWE). The hardware associated with the ISWE was leased to NASA, by the Paton Welding Institute (PWI) in Ukraine, for ground based welding experiments in preparation for flight. Two ground tests were scheduled, using the ISWE electron beam welding tool, to characterize the radiation exposure to an astronaut during the operation of the ISWE. These radiation exposure tests used Thermoluminescence Dosimeters (TLD's) shielded with material currently used by astronauts during Extra Vehicular Activities (EVA) to measure the radiation dose. The TLD's were exposed to x- ray radiation generated by operation of the ISWE in- vacuum electron beam welding tool. This investigation was the first known application of TLD's to measure absorbed dose from x-rays of energy less than 10 keV. The ISWE hardware was returned to Ukraine before the issue of adequate shielding for the astronauts was completely verified. Therefore alternate experimental and analytical methods were developed to measure and predict the x-ray spectral and intensity distribution generated by ISWE electron beam impact with metal. These x-ray spectra were normalized to an equivalent ISWE exposure then used to calculate the absorbed radiation dose to astronauts. These absorbed dose values were compared to TLD measurements obtained during

X-ray photoelectron spectroscopic and morphologic studies of Ru nanoparticles deposited onto highly oriented pyrolytic graphite

NASA Astrophysics Data System (ADS)

Bavand, R.; Yelon, A.; Sacher, E.

2015-11-01

Ruthenium nanoparticles (Ru NPs) function as effective catalysts in specific reactions, such as methanation and Fischer-Tropsch syntheses. It is our purpose to physicochemically characterize their surfaces, at which catalysis occurs, by surface-sensitive X-ray photoelectron spectroscopy (XPS), using the symmetric peak component anaylsis technique developed in our laboratory to reveal previously hidden components. Ru NPs were deposited by evaporation (0.25-1.5 nm nominal deposition range) onto highly oriented pyrolytic graphite (HOPG). In addition to their surfaces being characterized by XPS, an indication of morphology was obtained from transmission electron microscopy (TEM). Our use of symmetric peak component XPS analysis has revealed detailed information on a previously unidentified surface oxide initially formed, as well as on the valence electronic structure and its variation with NP size, information that is of potential importance in the use of these NPs in catalysis. Each of the several Ru core XPS spectra characterized (3d, 3p and 3s) was found to be composed of three symmetric components. Together with two metal oxide O1s components, these give evidence of a rather complex, previously unidentified oxide that is initially formed. The Ru valence band (4d and 5s) spectra clearly demonstrate a loss of metallicity, a simultaneous increase of the Kubo gap, and an abrupt transfer in valence electron density from the 4d to the 5s orbitals (known as electron spill-over), as the NP size decreases below 0.5 nm. TEM photomicrographs, as a function of deposition rate, show that, at a rate that gives insufficient time for the NP condensation energy to dissipate, the initially well-separated NPs are capable of diffusing laterally and aggregating. This indicates weak NP bonding to the HOPG substrate. Carbide is formed, at both high and low deposition rates, at Ru deposition thicknesses greater than 0.25 nm, its formation explained by Ru NPs reacting with residual

Thermal stability of electron-irradiated poly(tetrafluoroethylene) - X-ray photoelectron and mass spectroscopic study

NASA Technical Reports Server (NTRS)

Wheeler, Donald R.; Pepper, Stephen V.

1990-01-01

Polytetrafluoroethylene (PTFE) was subjected to 3 keV electron bombardment and then heated in vacuum to 300 C. The behavior of the material as a function of radiation dose and temperature was studied by X-ray photoelectron spectroscopy (XPS) of the surface and mass spectroscopy of the species evolved. Lightly damaged material heated to 300 C evolved saturated fluorocarbon species, whereas unsaturated fluorocarbon species were evolved from heavily damaged material. After heating the heavily damaged material, those features in the XPS spectrum that were associated with damage diminished, giving the appearance that the radiation damage had annealed. The observations were interpreted by incorporating mass transport of severed chain fragments and thermal decomposition of severely damaged material into the branched and cross-linked network model of irradiated PTFE. The apparent annealing of the radiation damage was due to covering of the network by saturated fragments that easily diffused through the decomposed material to the surface region upon heating.

A Many-Body Formalism of ΔSCF Approach for Simulating X-Ray Spectra from First-Principles

NASA Astrophysics Data System (ADS)

Liang, Yufeng; Vinson, John; Pemmaraju, Sri; Drisdell, Walter; Shirley, Eric; Prendegast, David

Accurately reproducing X-ray spectral fingerprints for materials characterization relies heavily on how to correctly model the many-electron response to the generation of an X-ray core hole. In this talk, we present a novel first-principles theory for simulating X-ray spectra that is based on many-electron wavefunctions. The proposed theory go beyond the electron-hole correlations within the Bethe-Saltpeter Equation and consider higher-order vertex corrections up to the level of Mahan-Noziéres-De Dominicis (MND) theory. An efficient algorithm is invented to incorporate these many-electron processes by using linear algebra rather than iterating over all Feynman diag United States Department of Energy under Contact No. DE-AC02-05CH11231, No. DE-SC0004993.

Ambient dose equivalent and effective dose from scattered x-ray spectra in mammography for Mo/Mo, Mo/Rh and W/Rh anode/filter combinations.

PubMed

Künzel, R; Herdade, S B; Costa, P R; Terini, R A; Levenhagen, R S

2006-04-21

In this study, scattered x-ray distributions were produced by irradiating a tissue equivalent phantom under clinical mammographic conditions by using Mo/Mo, Mo/Rh and W/Rh anode/filter combinations, for 25 and 30 kV tube voltages. Energy spectra of the scattered x-rays have been measured with a Cd(0.9)Zn(0.1)Te (CZT) detector for scattering angles between 30 degrees and 165 degrees . Measurement and correction processes have been evaluated through the comparison between the values of the half-value layer (HVL) and air kerma calculated from the corrected spectra and measured with an ionization chamber in a nonclinical x-ray system with a W/Mo anode/filter combination. The shape of the corrected x-ray spectra measured in the nonclinical system was also compared with those calculated using semi-empirical models published in the literature. Scattered x-ray spectra measured in the clinical x-ray system have been characterized through the calculation of HVL and mean photon energy. Values of the air kerma, ambient dose equivalent and effective dose have been evaluated through the corrected x-ray spectra. Mean conversion coefficients relating the air kerma to the ambient dose equivalent and to the effective dose from the scattered beams for Mo/Mo, Mo/Rh and W/Rh anode/filter combinations were also evaluated. Results show that for the scattered radiation beams the ambient dose equivalent provides an overestimate of the effective dose by a factor of about 5 in the mammography energy range. These results can be used in the control of the dose limits around a clinical unit and in the calculation of more realistic protective shielding barriers in mammography.

Applying a physical continuum model to describe the broadband X-ray spectra of accreting pulsars at high luminosity

NASA Astrophysics Data System (ADS)

Pottschmidt, Katja; Hemphill, Paul B.; Wolff, Michael T.; Cheatham, Diana M.; Iwakiri, Wataru; Gottlieb, Amy M.; Falkner, Sebastian; Ballhausen, Ralf; Fuerst, Felix; Kuehnel, Matthias; Ferrigno, Carlo; Becker, Peter A.; Wood, Kent S.; Wilms, Joern

2018-01-01

A new window for better understanding the accretion onto strongly magnetized neutron stars in X-ray binaries is opening. In these systems the accreted material follows the magnetic field lines as it approaches the neutron star, forming accretion columns above the magnetic poles. The plasma falls toward the neutron star surface at near-relativistic speeds, losing energy by emitting X-rays. The X-ray spectral continua are commonly described using phenomenological models, i.e., power laws with different types of curved cut-offs at higher energies. Here we consider high luminosity pulsars. In these systems the mass transfer rate is high enough that the accreting plasma is thought to be decelerated in a radiation-dominated radiative shock in the accretion columns. While the theory of the emission from such shocks had already been developed by 2007, a model for direct comparison with X-ray continuum spectra in xspec or isis has only recently become available. Characteristic parameters of this model are the accretion column radius and the plasma temperature, among others. Here we analyze the broadband X-ray spectra of the accreting pulsars Centaurus X-3 and 4U 1626-67 obtained with NuSTAR. We present results from traditional empirical modeling as well as successfully apply the radiation-dominated radiative shock model. We also take the opportunity to compare to similar recent analyses of both sources using these and other observations.

X-ray Photoelectron Spectroscopy Analysis of Gold Surfaces after Removal of Thiolated DNA Oligomers by Ultraviolet/Ozone Treatment

PubMed Central

Mirsaleh-Kohan, Nasrin; Bass, Andrew D.; Sanche, Léon

2012-01-01

Well ordered films of molecular DNA can be formed by the attachment of thiolated DNA oligonucleotides to a supporting gold substrate. The gold substrate represents a significant fraction of the total cost of preparing such films and it is thus important to determine whether such substrates can be reused. Here we investigate with X-ray Photoelectron Spectroscopy the suitability of UV/ozonolysis previously employed to remove alkanethiols from gold, for removing 40-mer, single and double stranded synthetic DNA. We find that while UV/O3 can indeed remove thiolated DNA from gold slides, the treatment times required permit the implantation of additional organic contaminants. PMID:20000594

X-ray photoelectron spectroscopy analysis of gold surfaces after removal of thiolated DNA oligomers by ultraviolet/ozone treatment.

PubMed

Mirsaleh-Kohan, Nasrin; Bass, Andrew D; Sanche, Léon

2010-05-04

Well-ordered films of molecular DNA can be formed by the attachment of thiolated DNA oligonucleotides to a supporting gold substrate. The gold substrate represents a significant fraction of the total cost of preparing such films, and it is thus important to determine whether such substrates can be reused. Here, we investigate with X-ray photoelectron spectroscopy the suitability of UV/ozonolysis previously employed to remove alkanethiols from gold, for removing 40-mer, single- and double-stranded synthetic DNA. We find that while UV/O(3) can indeed remove thiolated DNA from gold slides, the treatment times required permit the implantation of additional organic contaminants.

Segmented-spectrum detection mechanism for medical x-ray in CdTe

NASA Astrophysics Data System (ADS)

Shi, Zaifeng; Meng, Qingzhen; Cao, Qingjie; Yao, Suying

2016-01-01

This paper presents a segmented X-ray spectrum detection method based on a layered X-ray detector in Cadmium Telluride (CdTe) substrate. We describe the three-dimensional structure of proposed detector pixel and investigate the matched spectrum-resolving method. Polychromatic X-ray beam enter the CdTe substrate edge on and will be absorbed completely in different thickness varying with photon energy. Discrete potential wells are formed under external controlling voltage to collect the photo-electrons generated in different layers, and segmented X-ray spectrum can be deduced from the quantity of photo-electrons. In this work, we verify the feasibility of the segmented-spectrum detection mechanism by simulating the absorption of monochromatic X-ray in a CdTe substrate. Experiments in simulation show that the number of photo-electrons grow exponentially with the increase of incident thickness, and photons with different energy will be absorbed in various thickness. The charges generated in different layers are collected into adjacent potential wells, and collection efficiency is estimated to be about 87% for different incident intensity under the 40000V/cm electric field. Errors caused by charge sharing between neighboring layers are also analyzed, and it can be considered negligible by setting appropriate size of electrodes.

The Mapping X-ray Fluorescence Spectrometer (MapX)

NASA Astrophysics Data System (ADS)

Sarrazin, P.; Blake, D. F.; Marchis, F.; Bristow, T.; Thompson, K.

2017-12-01

Many planetary surface processes leave traces of their actions as features in the size range 10s to 100s of microns. The Mapping X-ray Fluorescence Spectrometer (MapX) will provide elemental imaging at 100 micron spatial resolution, yielding elemental chemistry at a scale where many relict physical, chemical, or biological features can be imaged and interpreted in ancient rocks on planetary bodies and planetesimals. MapX is an arm-based instrument positioned on a rock or regolith with touch sensors. During an analysis, an X-ray source (tube or radioisotope) bombards the sample with X-rays or alpha-particles / gamma-rays, resulting in sample X-ray Fluorescence (XRF). X-rays emitted in the direction of an X-ray sensitive CCD imager pass through a 1:1 focusing lens (X-ray micro-pore Optic (MPO)) that projects a spatially resolved image of the X-rays onto the CCD. The CCD is operated in single photon counting mode so that the energies and positions of individual X-ray photons are recorded. In a single analysis, several thousand frames are both stored and processed in real-time. Higher level data products include single-element maps with a lateral spatial resolution of 100 microns and quantitative XRF spectra from ground- or instrument- selected Regions of Interest (ROI). XRF spectra from ROI are compared with known rock and mineral compositions to extrapolate the data to rock types and putative mineralogies. When applied to airless bodies and implemented with an appropriate radioisotope source for alpha-particle excitation, MapX will be able to analyze biogenic elements C, N, O, P, S, in addition to the cations of the rock-forming elements >Na, accessible with either X-ray or gamma-ray excitation. The MapX concept has been demonstrated with a series of lab-based prototypes and is currently under refinement and TRL maturation.

Pulsar gamma-rays: Spectra luminosities and efficiencies

NASA Technical Reports Server (NTRS)

Harding, A. K.

1980-01-01

The general characteristics of pulsar gamma ray spectra are presented for a model where the gamma rays are produced by curvature radiation from energetic particles above the polar cap and attenuated by pair production. The shape of the spectrum is found to depend on pulsar period, magnetic field strength, and primary particle energy. By a comparison of numerically calculated spectra with the observed spectra of the Crab and Vela pulsars, it is determined that primary particles must be accelerated to energies of about 3 x 10 to the 7th power mc sq. A genaral formula for pulsar gamma ray luminosity is determined and is found to depend on period and field strength.

Solar Absorber Cu 2 ZnSnS 4 and its Parent Multilayers ZnS/SnS 2 /Cu 2 S Synthesized by Atomic Layer Deposition and Analyzed by X-ray Photoelectron Spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baryshev, Sergey V.; Riha, Shannon C.; Zinovev, Alexander V.

2015-06-01

Presented here are results of x-ray photoelectron spectroscopy (XPS) on multilayers of metal-sulfide binaries ZnS, SnS2, and Cu2S grown by atomic layer deposition (ALD) on Si substrates, and of Cu2ZnSnS4 (CZTS) formed upon 450 °C annealing of the parent multilayer ZnS/SnS2/Cu2S. Survey and detailed spectral analysis of the multilayer ZnS/SnS2/Cu2S are presented step-wise, as each layer was sequentially added by ALD. The set of data is finalized with spectra of the resulting alloy CZTS. XPS analyses indicate significant mixing between SnS2 and Cu2S, which favors CZTS formation within the ALD approach.

X-ray photoelectron spectroscopic study of surface chemistry of dibenzyl-disulfide on steel under mild and severe wear conditions

NASA Technical Reports Server (NTRS)

Wheeler, D. R.

1977-01-01

Wear tests were performed on 304 stainless steel lubricated with pure mineral oil with and without dibenzyl-disulfide. Both mild and severe wear were observed. The type of wear was distinguished by a marked change in wear rate, friction coefficient, and wear scar appearance. The chemical composition of the wear scar surface was examined with X-ray photoelectron spectroscopy in conjunction with argon ion sputter etching. In severe wear scars, a sulfide was formed at the expense of the normal oxide layer. In mild wear scars, there were only superficial sulfur compounds, but there was a substantial increase in the oxide thickness.

The Zone of Avoidance as an X-ray absorber - the role of the galactic foreground modelling Swift XRT spectra

NASA Astrophysics Data System (ADS)

Racz, I. I.; Bagoly, Z.; Tóth, L. V.; Balázs, L. G.; Horvath, I.; Zahorecz, S.

2018-05-01

Gamma-ray bursts (GRBs) are the most powerful explosive events in the Universe. The prompt gamma emission is followed by an X-ray afterglow that is also detected for over nine hundred GRBs by the Swift BAT and XRT detectors. The X-ray afterglow spectrum bears essential information about the burst, and the surrounding interstellar medium (ISM). Since the radiation travels through the line of sight intergalactic medium and the ISM in the Milky Way, the observed emission is influenced by extragalactic and galactic components. The column density of the Galactic foreground ranges several orders of magnitudes, due to both the large scale distribution of ISM and its small scale structures. We examined the effect of local HI column density on the penetrating X-ray emission, as the first step towards a precise modeling of the measured X-ray spectra. We fitted the X-ray spectra using the Xspec software, and checked how the shape of the initially power low spectrum changes with varying input Galactic HI column density. The total absorbing HI column is a sum of the intrinsic and Galactic component. We also investigated the model results for the intrinsic component varying the Galactic foreground. We found that such variations may alter the intrinsic hydrogen column density up to twenty-five percent. We will briefly discuss its consequences.

Analysis of soft x-ray emission spectra of laser-produced dysprosium, erbium and thulium plasmas

NASA Astrophysics Data System (ADS)

Sheil, John; Dunne, Padraig; Higashiguchi, Takeshi; Kos, Domagoj; Long, Elaine; Miyazaki, Takanori; O'Reilly, Fergal; O'Sullivan, Gerard; Sheridan, Paul; Suzuki, Chihiro; Sokell, Emma; White, Elgiva; Kilbane, Deirdre

2017-03-01

Soft x-ray emission spectra of dysprosium, erbium and thulium ions created in laser-produced plasmas were recorded with a flat-field grazing-incidence spectrometer in the 2.5-8 nm spectral range. The ions were produced using an Nd:YAG laser of 7 ns pulse duration and the spectra were recorded at various power densities. The experimental spectra were interpreted with the aid of the Cowan suite of atomic structure codes and the flexible atomic code. At wavelengths above 5.5 nm the spectra are dominated by overlapping n = 4 - n = 4 unresolved transition arrays from adjacent ion stages. Below 6 nm, n = 4 - n = 5 transitions also give rise to a series of interesting overlapping spectral features.

X-Ray Reflected Spectra from Accretion Disk Models. II. Diagnostic Tools for X-Ray Observations

NASA Technical Reports Server (NTRS)

Garcia, J.; Kallman, T. R.; Mushotzky, R. F.

2011-01-01

We present a comprehensive study of the emission spectra from accreting sources. We use our new reflection code to compute the reflected spectra from an accretion disk illuminated by X-rays. This set of models covers different values of ionization parameter, solar iron abundance and photon index for the illuminating spectrum. These models also include the most complete and recent atomic data for the inner-shell of the iron and oxygen isonuclear sequences. We concentrate our analysis to the 2 - 10 keV energy region, and in particular to the iron K-shell emission lines. We show the dependency of the equivalent width (EW) of the Fe Ka with the ionization parameter. The maximum value of the EW is approx. 800 eV for models with log Epsilon approx. 1.5, and decreases monotonically as Epsilon increases. For lower values of Epsilon the Fe K(alpha) EW decreases to a minimum near log Epsilon approx. 0.8. We produce simulated CCD observations based on our reflection models. For low ionized, reflection dominated cases, the 2 -10 keV energy region shows a very broad, curving continuum that cannot be represented by a simple power-law. We show that in addition to the Fe K-shell emission, there are other prominent features such as the Si and S L(alpha) lines, a blend of Ar VIII-XI lines, and the Ca x K(alpha) line. In some cases the S xv blends with the He-like Si RRC producing a broad feature that cannot be reproduced by a simple Gaussian profile. This could be used as a signature of reflection.

Analysis of electronic structure of amorphous InGaZnO/SiO{sub 2} interface by angle-resolved X-ray photoelectron spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ueoka, Y.; Ishikawa, Y.; Maejima, N.

2013-10-28

The electronic structures of amorphous indium gallium zinc oxide (a-IGZO) on a SiO{sub 2} layers before and after annealing were observed by constant final state X-ray photoelectron spectroscopy (CFS-XPS) and X-ray adsorption near-edge structure spectroscopy (XANES). From the results of angle-resolved CFS-XPS, the change in the electronic state was clearly observed in the a-IGZO bulk rather than in the a-IGZO/SiO{sub 2} interface. This suggests that the electronic structures of the a-IGZO bulk strongly affected the thin-film transistor characteristics. The results of XANES indicated an increase in the number of tail states upon atmospheric annealing (AT). We consider that the increasemore » in the number of tail states decreased the channel mobility of AT samples.« less

X-ray photoelectron spectroscopy study of radiofrequency sputtered chromium bromide, molybdenum disilicide, and molybdenum disulfide coatings and their friction properties

NASA Technical Reports Server (NTRS)

Wheeler, D. R.; Brainard, W. A.

1977-01-01

Radiofrequency sputtered coatings of CRB2, MOSI2, and MOS2 were examined by X-ray photoelectron spectroscopy. The effects of sputtering target history, deposition time, RF power level, and substrate bias on film composition were studied. Friction tests were run on RF sputtered surfaces of 440-C steel to correlate XPS data with lubricating properties. Significant deviations from stoichiometry and high oxide levels for all three compounds were related to target outgassing. The effect of biasing on these two factors depended on the compound. Improved stoichiometry correlated well with good friction and wear properties.

Role of relaxation and time-dependent formation of x-ray spectra

NASA Astrophysics Data System (ADS)

Privalov, Timofei; Gel'mukhanov, Faris; Ågren, Hans

2001-10-01

A fundamental problem of x-ray spectroscopy is the role of relaxation of the electronic subsystem in the field of the transient core hole. The main intention of the present study is to explore the dynamics due to core-hole relaxation in the whole time domain, and to find out how it is manifested in finite molecular systems in comparison with solids. A technique is developed based on a reduction of the Noziéres-De Dominicis equation to a set of linear algebraic equations. The developed time-dependent formalism is applied to a numerical investigation of a one-dimensional tight-binding model. The formation of the x-ray profiles is explored on the real time scale, and the role of interaction with the core hole, band filling, and the final-state rule are investigated for systems of different size. The formation of spectra of the infinite translational invariant system is studied by extensions of the finite systems. We found that the dynamics of finite systems, like molecules, differs qualitatively from solids: Contrary to the latter the time lapse of the Noziéres-De Dominicis domain for finite systems is squeezed between the inverse bandwidth and the revival time, which is proportional to the system size. For small molecules this means that there is no time for a ``Mahan-Noziéres-De Dominicis singularity'' to develop. Comparison with the strict solution of the Noziéres-De Dominicis equation shows that the adiabatic approximation describes x-ray absorption and emission considerably better than the fast approximation. This explains the suppression of the relaxation effects in x-ray emission of, e.g., gas phase and surface adsorbed molecules, but also that these effects are essential for the absorption case. There is still a quantitative distinction between the adiabatic approximation and the strict approach, which becomes more important for larger systems. Adopting the so-called finite state rule by von Barth and Grossman also for molecules, an almost complete

Valence shell threshold photoelectron spectroscopy of the CHxCN (x = 0-2) and CNC radicals.

PubMed

Garcia, Gustavo A; Krüger, Julia; Gans, Bérenger; Falvo, Cyril; Coudert, Laurent H; Loison, Jean-Christophe

2017-07-07

We present the photoelectron spectroscopy of four radical species, CH x CN (x = 0-2) and CNC, formed in a microwave discharge flow-tube reactor by consecutive H abstractions from CH 3 CN (CH x CN + F → CH x-1 CN + HF (x = 1-3)). The spectra were obtained combining tunable vacuum ultraviolet synchrotron radiation with double imaging electron/ion coincidence techniques, which yielded mass-selected threshold photoelectron spectra. The results obtained for H 2 CCN complement existing ones while for the other radicals the data represent the first observation of their (single-photon) ionizing transitions. In the case of H 2 CCN, Franck-Condon calculations have been performed in order to assign the vibrational structure of the X + 1 A 1 ←X 2 B 1 ionizing transition. A similar treatment for the HCCN, CCN, and CNC radicals appeared to be more complicated mainly because a Renner-Teller effect strongly affects the vibrational levels of the ground electronic state of the HCCN + , CCN, and CNC species. Nevertheless, the first adiabatic ionization energies of these radicals are reported and compared to our ab initio calculated values, leading to new values for enthalpies of formation (Δ f H 298 0 (HCCN + (X 2 A ' ))=1517±12kJmol -1 ,Δ f H 298 0 (CCN(X 2 Π))=682±13kJmol -1 , and Δ f H 298 0 (CNC(X 2 Πg))=676±12kJmol -1 ), which are of fundamental importance for astrochemistry.

X-ray studies of quasars with the Einstein Observatory. IV - X-ray dependence on radio emission

NASA Technical Reports Server (NTRS)

Worrall, D. M.; Tananbaum, H.; Giommi, P.; Zamorani, G.

1987-01-01

The X-ray properties of a sample of 114 radio-loud quasars observed with the Einstein Observatory are examined, and the results are compared with those obtained from a large sample of radio-quiet quasars. The results of statistical analysis of the dependence of X-ray luminosity on combined functions of optical and radio luminosity show that the dependence on both luminosities is important. However, statistically significant differences are found between subsamples of flat radio spectra quasars and steep radio spectra quasars with regard to dependence of X-ray luminosity on only radio luminosity. The data are consistent with radio-loud quasars having a physical component, not directly related to the optical luminosity, which produces the core radio luminosity plus 'extra' X-ray emission.

Core x-ray spectra in semiconductors and the Mahan-Nozieres-De Dominicis model

NASA Astrophysics Data System (ADS)

Livins, Peteris

1998-10-01

The Mahan-Nozières-De Dominicis (MND) model of core x-ray spectra is examined for semiconductors. Due to the finite band gap, the Anderson orthogonality does not occur, and thus spectra near the band edge can be calculated without the shakeup contribution. For semiconductors, and not only for metals, we investigate whether the remaining many-particle dynamic exchange effect of the MND model, or so-called replacement, can significantly alter x-ray spectral shapes near the band edge from those obtained from a straightforward final-state rule. For both emission and absorption, in the absence of shakeup, an exact formulation suitable for materials with band structure is discussed. A numerical model for a semiconductor with a 1-eV band gap demonstrates the band-edge modifications, and shows a 50% effect at the band edge, indicating that this dynamic exchange effect can be significant and should be considered in any specific emission or absorption calculation for a semiconductor. Although the ineffectiveness of the orthogonality theorem in semiconductors is emphasized, a suppression near the band edge also remains a possibility. Included is a discussion on the breakdown of the final-state rule. In addition, connection is made to the determinantal approach of Ohtaka and Tanabe.

X-ray Properties of an Unbiased Hard X-ray Detected Sample of AGN

NASA Technical Reports Server (NTRS)

Winter, Lisa M.; Mushotzky, Richard F.; Tueller, Jack; Markwardt, Craig

2007-01-01

The SWIFT gamma ray observatory's Burst Alert Telescope (BAT) has detected a sample of active galactic nuclei (AGN) based solely on their hard X-ray flux (14-195keV). In this paper, we present for the first time XMM-Newton X-ray spectra for 22 BAT AGXs with no previously analyzed X-ray spectra. If our sources are a representative sample of the BAT AGN, as we claim, our results present for the first time global X-ray properties of an unbiased towards absorption (n(sub H) < 3 x 10(exp 25)/sq cm), local (< z >= 0.03), AGN sample. We find 9/22 low absorption (n(sub H) < 10(exp 23)/sq cm), simple power law model sources, where 4 of these sources have a statistically significant soft component. Among these sources, we find the presence of a warm absorber statistically significant for only one Seyfert 1 source, contrasting with the ASCA results of Reynolds (1997) and George et al. (1998), who find signatures of warm absorption in half or more of their Seyfert 1 samples at similar redshifts. Additionally, the remaining sources (13122) have more complex spectra, well-fit by an absorbed power law at E > 2.0 keV. Five of the complex sources (NGC 612, ESO 362-G018, MRK 417, ESO 506-G027, and NGC 6860) are classified as Compton-thick candidates. Further, we find four more sources (SWIFT J0641.3+3257, SWIFT J0911.2+4533, SWIFT J1200.8+0650, and NGC 4992) with properties consistent with the hidden/buried AGN reported by Ueda et al. (2007). Finally, we include a comparison of the XMM EPIC spectra with available SWIFT X-ray Telescope (XRT) observations. From these comparisons, we find 6/16 sources with varying column densities, 6/16 sources with varying power law indices, and 13/16 sources with varying fluxes, over periods of hours to months. Flux and power law index are correlated for objects where both parameters vary.

X-ray Weak Broad-line Qquasars: Absorption or Intrinsic X-ray Weakness

NASA Technical Reports Server (NTRS)

Mushotzky, Richard (Technical Monitor); Risaliti, Guida

2005-01-01

XMM observations of X-ray weak quasars have been performed during 2003 and 2004. The data for all the observations have become available in 2004 (there has been a delay of several months on the initial schedule, due to high background flares which contaminated the observations: as a consequence, most of them had to be rescheduled). We have reduced and analyzed all the data, and obtained interesting scientific results. Out of the eight sources, 4 are confirmed to be extremely X-ray weak, in agreement with the results of previous Chandra observations. 3 sources are confined to be highly variable both in flux (by factor 20-50) and in spectral properties (dramatic changes in spectral index). For both these groups of objects we are completing a publication: 1) For the X-ray weak sources, a paper is submitted with a complete analysis of the X-ray spectra both from Chandra and XMM-Newton, and a comparison with optical and near-IR photometry obtained from all-sky surveys. Possible models for the unusual spectral energy distribution of these sources are also presented. 2) For the variable sources, a paper is being finalized where the X-ray spectra obtained with XMM-Newton are compared with previous X-ray observations and with observations at other wavelengths. It is shown that these sources are high luminosity and extreme cases of the highly variable class of narrow-line Seyfert Is. In order to further understand the nature of these X-ray weak quasars, we submitted proposals for spectroscopy at optical and infrared telescopes. We obtained time at the TNG 4 meter telescope for near-IR observations and at the Hobby-Eberly Telescope for optical high-resolution spectroscopy. These observations have been performed in early 2004. They will complement the XMM data and will lead to understanding of whether the X-ray weakness of these sources is an intrinsic property or is due to absorption by circum-nuclear material. The infrared spectra of the variable sources have been already

On the nature of citrate-derived surface species on Ag nanoparticles: Insights from X-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Mikhlin, Yuri L.; Vorobyev, Sergey A.; Saikova, Svetlana V.; Vishnyakova, Elena A.; Romanchenko, Alexander S.; Zharkov, Sergey M.; Larichev, Yurii V.

2018-01-01

Citrate is an important stabilizing, reducing, and complexing reagent in the wet chemical synthesis of nanoparticles of silver and other metals, however, the exact nature of adsorbates, and its mechanism of action are still uncertain. Here, we applied X-ray photoelectron spectroscopy, soft X-ray absorption near-edge spectroscopy, and other techniques in order to determine the surface composition and to specify the citrate-related species at Ag nanoparticles immobilized from the dense hydrosol prepared using room-temperature reduction of aqueous Ag+ ions with ferrous ions and citrate as stabilizer (Carey Lea method). It was found that, contrary to the common view, the species adsorbed on the Ag nanoparticles are, in large part, products of citrate decomposition comprising an alcohol group and one or two carboxylate bound to the surface Ag, and minor unbound carboxylate group; these may also be mixtures of citrate with lower molecular weight anions. No ketone groups were specified, and very minor surface Ag(I) and Fe (mainly, ferric oxyhydroxides) species were detected. Moreover, the adsorbates were different at AgNPs having various size and shape. The relation between the capping and the particle growth, colloidal stability of the high-concentration sol and properties of AgNPs is briefly considered.

X-ray K-edge absorption spectra of Fe minerals and model compounds: II. EXAFS

NASA Astrophysics Data System (ADS)

Waychunas, Glenn A.; Brown, Gordon E.; Apted, Michael J.

1986-01-01

K-edge extended X-ray absorption fine structure (EXAFS) spectra of Fe in varying environments in a suite of well-characterized silicate and oxide minerals were collected using synchrotron radiation and analyzed using single scattering approximation theory to yield nearest neighbor Fe-O distances and coordination numbers. The partial inverse character of synthetic hercynite spinal was verified in this way. Comparison of the results from all samples with structural data from X-ray diffraction crystal structure refinements indicates that EXAFS-derived first neighbor distances are generally accurate to ±0.02 Å using only theoretically generated phase information, and may be improved over this if similar model compounds are used to determine EXAFS phase functions. Coordination numbers are accurate to ±20 percent and can be similarly improved using model compound EXAFS amplitude information. However, in particular cases the EXAFS-derived distances may be shortened, and the coordination number reduced, by the effects of static and thermal disorder or by partial overlap of the longer Fe-O first neighbor distances with second neighbor distances in the EXAFS structure function. In the former case the total information available in the EXAFS is limited by the disorder, while in the latter case more accurate results can in principle be obtained by multiple neighbor EXAFS analysis. The EXAFS and XANES spectra of Fe in Nain, Labrador osumulite and Lakeview, Oregon plagioclase are also analyzed as an example of the application of X-ray absorption spectroscopy to metal ion site occupation determination in minerals.

The spectra of ten galactic X-ray sources in the southern sky

NASA Technical Reports Server (NTRS)

Cruddace, R.; Bowyer, S.; Lampton, M.; Mack, J. E., Jr.; Margon, B.

1971-01-01

Data on ten galactic X-ray sources were obtained during a rocket flight from Brazil in June 1969. Detailed spectra of these sources have been compared with bremsstrahlung, black body, and power law models, each including interstellar absorption. Six of the sources were fitted well by one or more of these models. In only one case were the data sufficient to distinguish the best model. Three of the sources were not fitted by any of the models, which suggests that more complex emission mechanisms are applicable. A comparison of our results with those of previous investigations provides evidence that five of the sources vary in intensity by a factor of 2 or more, and that three have variable spectra. New or substantially improved positions have been derived for four of the sources observed.

Cation profiling of passive films on stainless steel formed in sulphuric and acetic acid by deconvolution of angle-resolved X-ray photoelectron spectra

NASA Astrophysics Data System (ADS)

Högström, Jonas; Fredriksson, Wendy; Edstrom, Kristina; Björefors, Fredrik; Nyholm, Leif; Olsson, Claes-Olof A.

2013-11-01

An approach for determining depth gradients of metal-ion concentrations in passive films on stainless steel using angle-resolved X-ray photoelectron spectroscopy (ARXPS) is described. The iterative method, which is based on analyses of the oxidised metal peaks, provides increased precision and hence allows faster ARXPS measurements to be carried out. The method was used to determine the concentration depth profiles for molybdenum, iron and chromium in passive films on 316L/EN 1.4432 stainless steel samples oxidised in 0.5 M H2SO4 and acetic acid diluted with 0.02 M Na2B4O7 · 10H2O and 1 M H2O, respectively. The molybdenum concentration in the film is pin-pointed to the oxide/metal interface and the films also contained an iron-ion-enriched surface layer and a chromium-ion-dominated middle layer. Although films of similar composition and thickness (i.e., about 2 nm) were formed in the two electrolytes, the corrosion currents were found to be three orders of magnitude larger in the acetic acid solution. The differences in the layer composition, found for the two electrolytes as well as different oxidation conditions, can be explained based on the oxidation potentials of the metals and the dissolution rates of the different metal ions.

Absorbed Dose Determination Using Experimental and Analytical Predictions of X-Ray Spectra

NASA Technical Reports Server (NTRS)

Edwards, D. L.; Carruth, Ralph (Technical Monitor)

2001-01-01

Electron beam welding in a vacuum is a technology that NASA is investigating as a joining technique for manufacture of space structures. This investigation characterizes the x-ray environment due to operation of an in-vacuum electron beam welding tool and provides recommendations for adequate shielding for astronauts performing the in-vacuum electron beam welding. NASA, in a joint venture with the Russian Space Agency, was scheduled to perform a series of welding in space experiments on board the U.S. Space Shuttle. This series of experiments was named the international space welding experiment (ISWE). The hardware associated with the ISWE was leased to NASA by the Paton Welding Institute (PWI) in Ukraine for ground-based welding experiments in preparation for flight. Two ground tests were scheduled, using the ISWE electron beam welding tool, to characterize the radiation exposure to an astronaut during the operation of the ISWE. These radiation exposure tests used thermoluminescence dosimeters (TLD's) shielded with material currently used by astronauts during extravehicular activities to measure the radiation dose. The TLD's were exposed to x-ray radiation generated by operation of the ISWE in-vacuum electron beam welding tool. This investigation was the first known application of TLD's to measure absorbed dose from x rays of energy less than 10 keV. The ISWE hardware was returned to Ukraine before the issue of adequate shielding for the astronauts was completely verified. Therefore, alternate experimental and analytical methods were developed to measure and predict the x-ray spectral and intensity distribution generated by ISWE electron beam impact with metal. These x-ray spectra were normalized to an equivalent ISWE exposure, then used to calculate the absorbed radiation dose to astronauts. These absorbed dose values were compared to TLD measurements obtained during actual operation of the ISWE in-vacuum electron beam welding tool. The calculated absorbed dose

Quasar X-Ray Spectra At z=1.5

NASA Technical Reports Server (NTRS)

Siemiginowska, Aneta

2001-01-01

The predicted counts for ASCA observation was much higher than actually observed counts in the quasar. However, there are three weak hard x-ray sources in the GIS field. We are adding them to the source counts in modeling of hard x-ray background. The work is in progress. We have published a paper in Ap.J. on the luminosity function and the quasar evolution. Based on the theory described in this paper we are predicting a number of sources and their contribution to the x-ray background at different redshifts. These model predictions will be compared to the observed data in the final paper.

SU-F-I-75: Half-Value Layer Thicknesses and Homogeneity Coefficients for Fluoroscopic X-Ray Beam Spectra Incorporating Spectral Filtration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wunderle, K; Wayne State University School of Medicine, Detroit, MI; Godley, A

Purpose: The purpose of this investigation is to quantify various first half-value-layers (HVLs), second HVLs and homogeneity coefficients (HCs) for a state-of-the-art fluoroscope utilizing spectral (copper) filtration. Methods: A Radcal (Monrovia, Ca) AccuPro dosimeter with a 10×6-6 calibrated ionization chamber was used to measure air kerma for radiographic x-ray exposures made on a Siemens (Erlangen, Germany) Artis ZeeGo fluoroscope operated in the service mode. The ionization chamber was centered in the x-ray beam at 72 cm from the focal spot with a source-to-image-distance of 120 cm. The collimators were introduced to limit the x-ray field to approximately 5 cm ×more » 5 cm at the ionization chamber plane. Type-1100 aluminum filters, in 0.5 mm increments, were used to determine the HVL. Two HVL calculation methods were used, log-linear interpolation and Lambert-W interpolation as described by Mathieu [Med Phys, 38(8), 4546 (2011)]. Multiple measurements were made at 60, 80, 100, 120 kVp at spectral filtration thicknesses of 0, 0.1, 0.3, 0.6 and 0.9 mm. Results: First HVL, second HVL, and HCs are presented for the fluoroscopic x-ray beam spectra indicated above, with nearly identical results from the two interpolation methods. Accuracy of the set kVp was also determined and deviated less than 2%. First HVLs for fluoroscopic x-ray beam spectra without spectral filtration determined in our study were 7%–16% greater than previously published data by Fetterly et al. [Med Phys, 28, 205 (2001)]. However, the FDA minimum HVL requirements changed since that publication, requiring larger HVLs as of 2006. Additionally, x-ray tube and generator architecture have substantially changed over the last 15 years providing different beam spectra. Conclusion: X-ray beam quality characteristics for state-of-the-art fluoroscopes with spectral filtration have not been published. This study provides reference data which will be useful for defining beam qualities encountered on

HIREGS observations of the Galactic center and Galactic plane: Separation of the diffuse Galactic hard X-ray continuum from the point source spectra

NASA Technical Reports Server (NTRS)

Boggs, S. E.; Lin, R. P.; Coburn, W.; Feffer, P.; Pelling, R. M.; Schroeder, P.; Slassi-Sennou, S.

1997-01-01

The balloon-borne high resolution gamma ray and X-ray germanium spectrometer (HIREGS) was used to observe the Galactic center and two positions along the Galactic plane from Antarctica in January 1995. For its flight, the collimators were configured to measure the Galactic diffuse hard X-ray continuum between 20 and 200 keV by directly measuring the point source contributions to the wide field of view flux for subtraction. The hard X-ray spectra of GX 1+4 and GRO J1655-40 were measured with the diffuse continuum subtracted off. The analysis technique for source separation is discussed and the preliminary separated spectra for these point sources and the Galactic diffuse emission are presented.

Hard x-ray photoelectron spectroscopy equipment developed at beamline BL46XU of SPring-8 for industrial researches

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yasuno, Satoshi, E-mail: yasuno@spring8.or.jp; Koganezawa, Tomoyuki; Watanabe, Takeshi

Hard X-ray photoelectron spectroscopy (HAXPES) is a powerful tool for investigating the chemical and electronic states of bulk and buried interface in a non-destructive manner due to the large probing depth of this technique. At BL46XU of SPring-8, there are two HAXPES systems equipped with different electron spectrometers, which can be utilized appropriately according to the purpose in various industrial researches. In this article, these systems are outlined, and two typical examples of HAXPES studies performed by them are presented, which focus on the silicidation at Ni/SiC interface and the energy distribution of interface states at SiO{sub 2}/a-InGaZnO.

Evolution of Cygnus X-3 through its Radio and X-ray States

NASA Astrophysics Data System (ADS)

Szostek, A.; Zdziarski, A. A.; McCollough, M. L.

2009-05-01

Based on X-ray spectra and studies of the long-term correlated behavior between radio and soft X-ray, we present a detailed evolution of Cyg X-3 through its radio and X-ray states. We comment on the nature of the hard X-ray tail and possible Simbol X contribution in constraining the models.

Surface chemical composition of human maxillary first premolar as assessed by X-ray photoelectron spectroscopy (XPS)

NASA Astrophysics Data System (ADS)

Lou, Leo; Nelson, Alan E.; Heo, Giseon; Major, Paul W.

2008-08-01

The surface chemical composition of dental enamel has been postulated as a contributing factor in the variation of bond strength of brackets bonded to teeth, and hence, the probability of bracket failure during orthodontic treatment. This study systematically investigated the chemical composition of 98 bonding surfaces of human maxillary premolars using X-ray photoelectron spectroscopy (XPS) to ascertain compositional differences between right and left first premolars. The major elements detected in all samples were calcium, phosphorus, oxygen, nitrogen and carbon. Surface compositions were highly variable between samples and several elements were found to be highly correlated. No statistical significant difference in the chemical composition of the maxillary right and left first premolars was found ( p > 0.05). Knowledge of the chemical composition of enamel surfaces will facilitate future studies that relate this information to the variations in dental enamel bond strength.

Analysis of X-ray Spectra of High-Z Elements obtained on Nike with high spectral and spatial resolution

NASA Astrophysics Data System (ADS)

Aglitskiy, Yefim; Weaver, J. L.; Karasik, M.; Serlin, V.; Obenschain, S. P.; Ralchenko, Yu.

2014-10-01

The spectra of multi-charged ions of Hf, Ta, W, Pt, Au and Bi have been studied on Nike krypton-fluoride laser facility with the help of two kinds of X-ray spectrometers. First, survey instrument covering a spectral range from 0.5 to 19.5 angstroms which allows simultaneous observation of both M- and N- spectra of above mentioned elements with high spectral resolution. Second, an imaging spectrometer with interchangeable spherically bent Quartz crystals that added higher efficiency, higher spectral resolution and high spatial resolution to the qualities of the former one. Multiple spectral lines with X-ray energies as high as 4 keV that belong to the isoelectronic sequences of Fe, Co, Ni, Cu and Zn were identified with the help of NOMAD package developed by Dr. Yu. Ralchenko and colleagues. In our continuous effort to support DOE-NNSA's inertial fusion program, this campaign covered a wide range of plasma conditions that result in production of relatively energetic X-rays. Work supported by the US DOE/NNSA.

X-Ray Photoelectron Spectroscopy Study of the Heating Effects on Pd/6H-SiC Schottky Structure

NASA Technical Reports Server (NTRS)

Chen, Liang-Yu; Hunter, Gary W.; Neudeck, Philip G.; Knight, Dak

1998-01-01

X-ray photoelectron spectroscopy is used to study the effects of heat treatment on the Pd/6H-SiC Schottky diode structure. After heating the structure at 425 C for 140 h, a very thin surface layer of PdO mixed with SiO(x) formed on the palladium surface of the Schottky structure. Heat treatment promoted interfacial diffusion and reaction which significantly broadened the interfacial region. In the interfacial region, the palladium concentration decreases with depth, and the interfacial products are Pd(x)Si (x = 1,2,3,4). In the high Pd concentration regions, Pd4Si is the major silicide component while gr and Pd2Si are major components in the low Pd concentration region. At the center of the interface, where the total palladium concentration equals that of silicon, the concentrations of palladium associated with various palladium silicides (Pd(x)Si, x= 1,2,3,4) are approximately equal. The surface passivation layer composed of PdO and SiO, may significantly affect the electronic and catalytic properties of the surface of the Schottky diode which plays a major role in gas detection. The electronic properties of the Schottky structure may be dominated by a (Pd+Pd(x)Si)/SiC interface. In order to stabilize the properties of the Schottky structure the surface and interface diffusion and reactions must be controlled.

Quantum many-body effects in x-ray spectra efficiently computed using a basic graph algorithm

NASA Astrophysics Data System (ADS)

Liang, Yufeng; Prendergast, David

2018-05-01

The growing interest in using x-ray spectroscopy for refined materials characterization calls for an accurate electronic-structure theory to interpret the x-ray near-edge fine structure. In this work, we propose an efficient and unified framework to describe all the many-electron processes in a Fermi liquid after a sudden perturbation (such as a core hole). This problem has been visited by the Mahan-Noziéres-De Dominicis (MND) theory, but it is intractable to implement various Feynman diagrams within first-principles calculations. Here, we adopt a nondiagrammatic approach and treat all the many-electron processes in the MND theory on an equal footing. Starting from a recently introduced determinant formalism [Phys. Rev. Lett. 118, 096402 (2017), 10.1103/PhysRevLett.118.096402], we exploit the linear dependence of determinants describing different final states involved in the spectral calculations. An elementary graph algorithm, breadth-first search, can be used to quickly identify the important determinants for shaping the spectrum, which avoids the need to evaluate a great number of vanishingly small terms. This search algorithm is performed over the tree-structure of the many-body expansion, which mimics a path-finding process. We demonstrate that the determinantal approach is computationally inexpensive even for obtaining x-ray spectra of extended systems. Using Kohn-Sham orbitals from two self-consistent fields (ground and core-excited state) as input for constructing the determinants, the calculated x-ray spectra for a number of transition metal oxides are in good agreement with experiments. Many-electron aspects beyond the Bethe-Salpeter equation, as captured by this approach, are also discussed, such as shakeup excitations and many-body wave function overlap considered in Anderson's orthogonality catastrophe.

X-ray photoelectron spectroscopy investigations of band offsets in Ga0.02Zn0.98O/ZnO heterojunction for UV photodetectors

NASA Astrophysics Data System (ADS)

Singh, Karmvir; Rawal, Ishpal; Punia, Rajesh; Dhar, Rakesh

2017-10-01

Here, we report the valence and conduction band offset measurements in pure ZnO and the Ga0.02Zn0.98O/ZnO heterojunction by X-Ray photoelectron spectroscopy studies for UV photodetector applications. For detailed investigations on the band offsets and UV photodetection behavior of Ga0.02Zn0.98O/ZnO heterostructures, thin films of pristine ZnO, Ga-doped ZnO (Ga0.02Zn0.98O), and heterostructures of Ga-doped ZnO with ZnO (Ga0.02Zn0.98O/ZnO) were deposited using a pulsed laser deposition technique. The deposited thin films were characterized by X-ray diffraction, atomic force microscopy, and UV-Vis spectroscopy. X-ray photoelectron spectroscopy studies were carried out on all the thin films for the investigation of valence and conduction band offsets. The valence band was found to be shifted by 0.28 eV, while the conduction band has a shifting of -0.272 eV in the Ga0.02Zn0.98O/ZnO heterojunction as compared to pristine ZnO thin films. All the three samples were analyzed for photoconduction behavior under UVA light of the intensity of 3.3 mW/cm2, and it was observed that the photoresponse of pristine ZnO (19.75%) was found to increase with 2 wt. % doping of Ga (22.62%) and heterostructured thin films (29.10%). The mechanism of UV photodetection in the deposited samples has been discussed in detail, and the interaction of chemisorbed oxygen on the ZnO surface with holes generated by UV light exposure has been the observed mechanism for the change in electrical conductivity responsible for UV photoresponse on the present deposited ZnO films.

X-ray photoelectron spectroscopic analysis of rice kernels and flours: Measurement of surface chemical composition.

PubMed

Nawaz, Malik A; Gaiani, Claire; Fukai, Shu; Bhandari, Bhesh

2016-12-01

The objectives of this study were to evaluate the ability of X-ray photoelectron spectroscopy (XPS) to differentiate rice macromolecules and to calculate the surface composition of rice kernels and flours. The uncooked kernels and flours surface composition of the two selected rice varieties, Thadokkham-11 (TDK11) and Doongara (DG) demonstrated an over-expression of lipids and proteins and an under-expression of starch compared to the bulk composition. The results of the study showed that XPS was able to differentiate rice polysaccharides (mainly starch), proteins and lipids in uncooked rice kernels and flours. Nevertheless, it was unable to distinguish components in cooked rice samples possibly due to complex interactions between gelatinized starch, denatured proteins and lipids. High resolution imaging methods (Scanning Electron Microscopy and Confocal Laser Scanning Microscopy) were employed to obtain complementary information about the properties and location of starch, proteins and lipids in rice kernels and flours. Copyright © 2016. Published by Elsevier Ltd.

X-ray photoelectron and mass spectroscopic study of electron irradiation and thermal stability of polytetrafluoroethylene

NASA Technical Reports Server (NTRS)

Wheeler, Donald R.; Pepper, Stephen V.

1990-01-01

Polytetrafluoroethylene (PTFE) was subjected to 3 keV electron bombardment and then heated in vacuum to 300 C. The behavior of the material as a function of radiation dose and temperature was studied by X-ray photoelectron spectroscopy (XPS) of the surface and mass spectroscopy of the species evolved. A quantitative comparison of the radiation dose rate with that in other reported studies showed that, for a given total dose, the damage observed by XPS is greater for higher dose rates. Lightly damaged material heated to 300 C evolved saturated fluorocarbon species, whereas unsaturated fluorocarbon species evolved from heavily damaged material. After heating the heavily damaged material, those features in the XPS that were associated with damage diminished, giving the appearance that the radiation damage annealed. The apparent annealing of the radiation damage was found to be due to the covering of the network by saturated fragments that easily diffused through the decomposed material to the surface region upon heating.

High-resolution soft X-ray beamline ADRESS at the Swiss Light Source for resonant inelastic X-ray scattering and angle-resolved photoelectron spectroscopies

PubMed Central

Strocov, V. N.; Schmitt, T.; Flechsig, U.; Schmidt, T.; Imhof, A.; Chen, Q.; Raabe, J.; Betemps, R.; Zimoch, D.; Krempasky, J.; Wang, X.; Grioni, M.; Piazzalunga, A.; Patthey, L.

2010-01-01

The concepts and technical realisation of the high-resolution soft X-ray beamline ADRESS operating in the energy range from 300 to 1600 eV and intended for resonant inelastic X-ray scattering (RIXS) and angle-resolved photoelectron spectroscopy (ARPES) are described. The photon source is an undulator of novel fixed-gap design where longitudinal movement of permanent magnetic arrays controls not only the light polarization (including circular and 0–180° rotatable linear polarizations) but also the energy without changing the gap. The beamline optics is based on the well established scheme of plane-grating monochromator operating in collimated light. The ultimate resolving power E/ΔE is above 33000 at 1 keV photon energy. The choice of blazed versus lamellar gratings and optimization of their profile parameters is described. Owing to glancing angles on the mirrors as well as optimized groove densities and profiles of the gratings, the beamline is capable of delivering high photon flux up to 1 × 1013 photons s−1 (0.01% BW)−1 at 1 keV. Ellipsoidal refocusing optics used for the RIXS endstation demagnifies the vertical spot size down to 4 µm, which allows slitless operation and thus maximal transmission of the high-resolution RIXS spectrometer delivering E/ΔE > 11000 at 1 keV photon energy. Apart from the beamline optics, an overview of the control system is given, the diagnostics and software tools are described, and strategies used for the optical alignment are discussed. An introduction to the concepts and instrumental realisation of the ARPES and RIXS endstations is given. PMID:20724785

Comparative study of GeO{sub 2}/Ge and SiO{sub 2}/Si structures on anomalous charging of oxide films upon water adsorption revealed by ambient-pressure X-ray photoelectron spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mori, Daichi; Kawai, Kentaro; Morita, Mizuho

2016-09-07

The energy difference between the oxide and bulk peaks in X-ray photoelectron spectroscopy (XPS) spectra was investigated for both GeO{sub 2}/Ge and SiO{sub 2}/Si structures with thickness-controlled water films. This was achieved by obtaining XPS spectra at various values of relative humidity (RH) of up to ∼15%. The increase in the energy shift is more significant for thermal GeO{sub 2} on Ge than for thermal SiO{sub 2} on Si above ∼10{sup −4}% RH, which is due to the larger amount of water molecules that infiltrate into the GeO{sub 2} film to form hydroxyls. Analyzing the origins of this energy shift,more » we propose that the positive charging of a partially hydroxylated GeO{sub 2} film, which is unrelated to X-ray irradiation, causes the larger energy shift for GeO{sub 2}/Ge than for SiO{sub 2}/Si. A possible microscopic mechanism of this intrinsic positive charging is the emission of electrons from adsorbed water species in the suboxide layer of the GeO{sub 2} film to the Ge bulk, leaving immobile cations or positively charged states in the oxide. This may be related to the reported negative shift of flat band voltages in metal-oxide-semiconductor diodes with an air-exposed GeO{sub 2} layer.« less

Surface studies of solids using integral X-ray-induced photoemission yield

PubMed Central

Stoupin, Stanislav; Zhernenkov, Mikhail; Shi, Bing

2016-01-01

X-ray induced photoemission yield contains structural information complementary to that provided by X-ray Fresnel reflectivity, which presents an advantage to a wide variety of surface studies if this information is made easily accessible. Photoemission in materials research is commonly acknowledged as a method with a probing depth limited by the escape depth of the photoelectrons. Here we show that the integral hard-X-ray-induced photoemission yield is modulated by the Fresnel reflectivity of a multilayer structure and carries structural information that extends well beyond the photoelectron escape depth. A simple electric self-detection of the integral photoemission yield and Fourier data analysis permit extraction of thicknesses of individual layers. The approach does not require detection of the reflected radiation and can be considered as a framework for non-invasive evaluation of buried layers with hard X-rays under grazing incidence. PMID:27874041

Surface studies of solids using integral x-ray-induced photoemission yield

DOE PAGES

Stoupin, Stanislav; Zhernenkov, Mikhail; Shi, Bing

2016-11-22

X-ray induced photoemission yield contains structural information complementary to that provided by X-ray Fresnel reflectivity, which presents an advantage to a wide variety of surface studies if this information is made easily accessible. Photoemission in materials research is commonly acknowledged as a method with a probing depth limited by the escape depth of the photoelectrons. Here we show that the integral hard-X-ray-induced photoemission yield is modulated by the Fresnel reflectivity of a multilayer structure and carries structural information that extends well beyond the photoelectron escape depth. A simple electric self-detection of the integral photoemission yield and Fourier data analysis permitmore » extraction of thicknesses of individual layers. The approach does not require detection of the reflected radiation and can be considered as a framework for non-invasive evaluation of buried layers with hard X-rays under grazing incidence.« less

X-Ray Absorption Spectra of Amorphous Ices from GW Quasiparticle Calculation

NASA Astrophysics Data System (ADS)

Kong, Lingzhu; Car, Roberto

2013-03-01

We use a GW approach[2] to compute the x-ray absorption spectra of model low- and high-density amorphous ice structures(LDA and HDA)[3]. We include the structural effects of quantum zero point motion using colored-noise Langevin molecular dynamics[4]. The calculated spectra differences in the main and post edge region between LDA and HDA agree well with experimental observations. We attribute these differences to the presence of interstitial molecules within the first coordination shell range in HDA. This assignment is further supported by a calculation of the spectrum of ice VIII, a high-pressure structure that maximizes the number of interstitial molecules and, accordingly, shows a much weaker post-edge feature. We further rationalize the spectral similarity between HDA and liquid water, and between LDA and ice Ih in terms of the respective similarities in the H-bond network topology and bond angle distributions. Supported by grants DOE-DE-SC0005180, DOE DE-SC0008626 and NSF-CHE-0956500.

Characteristic features of a high-energy x-ray spectra estimation method based on the Waggener iterative perturbation principle

DOE Office of Scientific and Technical Information (OSTI.GOV)

Iwasaki, Akira; Kubota, Mamoru; Hirota, Junichi

2006-11-15

We have redeveloped a high-energy x-ray spectra estimation method reported by Iwasaki et al. [A. Iwasaki, H. Matsutani, M. Kubota, A. Fujimori, K. Suzaki, and Y. Abe, Radiat. Phys. Chem. 67, 81-91 (2003)]. The method is based on the iterative perturbation principle to minimize differences between measured and calculated transmission curves, originally proposed by Waggener et al. [R. G. Waggener, M. M. Blough, J. A. Terry, D. Chen, N. E. Lee, S. Zhang, and W. D. McDavid, Med. Phys. 26, 1269-1278 (1999)]. The method can estimate spectra applicable for media at least from water to lead using only about tenmore » energy bins. Estimating spectra of 4-15 MV x-ray beams from a linear accelerator, we describe characteristic features of the method with regard to parameters including the prespectrum, number of transmission measurements, number of energy bins, energy bin widths, and artifactual bipeaked spectrum production.« less

Long-Range Chemical Sensitivity in the Sulfur K-Edge X-ray Absorption Spectra of Substituted Thiophenes

PubMed Central

2015-01-01

Thiophenes are the simplest aromatic sulfur-containing compounds and are stable and widespread in fossil fuels. Regulation of sulfur levels in fuels and emissions has become and continues to be ever more stringent as part of governments’ efforts to address negative environmental impacts of sulfur dioxide. In turn, more effective removal methods are continually being sought. In a chemical sense, thiophenes are somewhat obdurate and hence their removal from fossil fuels poses problems for the industrial chemist. Sulfur K-edge X-ray absorption spectroscopy provides key information on thiophenic components in fuels. Here we present a systematic study of the spectroscopic sensitivity to chemical modifications of the thiophene system. We conclude that while the utility of sulfur K-edge X-ray absorption spectra in understanding the chemical composition of sulfur-containing fossil fuels has already been demonstrated, care must be exercised in interpreting these spectra because the assumption of an invariant spectrum for thiophenic forms may not always be valid. PMID:25116792

Database for Simulation of Electron Spectra for Surface Analysis (SESSA)Database for Simulation of Electron Spectra for Surface Analysis (SESSA)

National Institute of Standards and Technology Data Gateway

SRD 100 Database for Simulation of Electron Spectra for Surface Analysis (SESSA)Database for Simulation of Electron Spectra for Surface Analysis (SESSA) (PC database for purchase)   This database has been designed to facilitate quantitative interpretation of Auger-electron and X-ray photoelectron spectra and to improve the accuracy of quantitation in routine analysis. The database contains all physical data needed to perform quantitative interpretation of an electron spectrum for a thin-film specimen of given composition. A simulation module provides an estimate of peak intensities as well as the energy and angular distributions of the emitted electron flux.

Photoelectron spectra and biological activity of cinnamic acid derivatives revisited

NASA Astrophysics Data System (ADS)

Novak, Igor; Klasinc, Leo; McGlynn, Sean P.

2018-01-01

The electronic structures of several derivatives of cinnamic acid have been studied by UV photoelectron spectroscopy (UPS) and Green's function quantum chemical calculations. The spectra reveal the presence of dimers in the gas phase for p-coumaric and ferulic acids. The electronic structure analysis has been related to the biological properties of these compounds through the analysis of some structure-activity relationships (SAR).

X-ray photoelectron spectroscopy study of para-substituted benzoic acids chemisorbed to aluminum oxide thin films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kreil, Justin; Ellingsworth, Edward; Szulczewski, Greg

A series of para-substituted, halogenated (F, Cl, Br, and I) benzoic acid monolayers were prepared on the native oxide of aluminum surfaces by solution self-assembly and spin-coating techniques. The monolayers were characterized by x-ray photoelectron spectroscopy (XPS) and water contact angles. Several general trends are apparent. First, the polarity of the solvent is critical to monolayer formation. Protic polar solvents produced low coverage monolayers; in contrast, nonpolar solvents produced higher coverage monolayers. Second, solution deposition yields a higher surface coverage than spin coating. Third, the thickness of the monolayers determined from XPS suggests the plane of the aromatic ring ismore » perpendicular to the surface with the carboxylate functional group most likely binding in a bidentate chelating geometry. Fourth, the saturation coverage (∼2.7 × 10{sup 14} molecules cm{sup −2}) is independent of the para-substituent.« less

Study of fission-product segregation in used CANDU fuel by X-ray photoelectron spectroscopy (XPS) II

NASA Astrophysics Data System (ADS)

Hocking, William H.; Duclos, A. Michael; Johnson, Lawrence H.

1994-03-01

A thorough investigation of the grain-boundary chemistry of used CANDU fuel from one intact element has been conducted by X-ray photoelectron spectroscopy (XPS). Selected findings from more extensive XPS measurements on other used CANDU fuels exposed to storage conditions are included for comparison. Cesium, rubidium, tellurium and barium have been commonly observed, often reaching high degrees of surface enrichment, although their relative abundances can vary widely with a complex dependence on the fuel irradiation history. Lower concentrations of cadmium, molybdenum, strontium and iodine have also been occasionally detected. Except for iodine, chemical-shift data are indicative of oxidized species, possibly uranates. Segregation at monolayer-level coverages has been demonstrated by sequential XPS analysis and argon-ion sputtering. Calculations based on an idealized thin-film model are consistent with the depth profiles. The interpretation of these results is discussed in the context of previous studies, especially on LWR fuels.

Analysis of solar X-ray data

NASA Technical Reports Server (NTRS)

Teske, R. G.

1972-01-01

Type III solar bursts occurring in the absence of solar flares were observed to be accompanied by weak X-radiation. The energy scale of an OSO-3 soft X-ray ion chamber was assessed using realistic theoretical X-ray spectra. Relationships between soft solar X-rays and solar activity were investigated. These included optical studies, the role of the Type III acceleration mechanism in establishing the soft X-ray source volume, H alpha flare intensity variations, and gross magnetic field structure.

Finite temperature effects on the X-ray absorption spectra of energy related materials

NASA Astrophysics Data System (ADS)

Pascal, Tod; Prendergast, David

2014-03-01

We elucidate the role of room-temperature-induced instantaneous structural distortions in the Li K-edge X-ray absorption spectra (XAS) of crystalline LiF, Li2SO4, Li2O, Li3N and Li2CO3 using high resolution X-ray Raman spectroscopy (XRS) measurements and first-principles density functional theory calculations within the eXcited electron and Core Hole (XCH) approach. Based on thermodynamic sampling via ab-initio molecular dynamics (MD) simulations, we find calculated XAS in much better agreement with experiment than those computed using the rigid crystal structure alone. We show that local instantaneous distortion of the atomic lattice perturbs the symmetry of the Li 1 s core-excited-state electronic structure, broadening spectral line-shapes and, in some cases, producing additional spectral features. This work was conducted within the Batteries for Advanced Transportation Technologies (BATT) Program, supported by the U.S. Department of Energy Vehicle Technologies Program under Contract No. DE-AC02-05CH11231.

XPS studies of structure-induced radiation effects at the Si/SiO2 interface. [X ray Photoelectron Spectroscopy

NASA Technical Reports Server (NTRS)

Grunthaner, F. J.; Lewis, B. F.; Zamini, N.; Maserjian, J.; Madhukar, A.

1980-01-01

The interfacial structures of radiation hard and soft oxides grown by dry and wet processes on silicon substrates have been examined by high-resolution X-ray photoelectron spectroscopy. It is found that the primary difference in the local atomic structure at the Si/SiO2 interface is the significantly higher concentration of strained 120 deg SiO2 bonds and SiO interfacial species in soft samples. Results of in situ radiation damage experiments using low energy electrons (0-20 eV) are reported which correlate with the presence of a strained layer of SiO2 (20 A) at the interface. The results are interpreted in terms of a structural model for hole and electron trap generation by ionizing radiation.

X-ray photoelectron spectrum and electronic properties of a noncentrosymmetric chalcopyrite compound HgGa(2)S(4): LDA, GGA, and EV-GGA.

PubMed

Reshak, Ali Hussain; Khenata, R; Kityk, I V; Plucinski, K J; Auluck, S

2009-04-30

An all electron full potential linearized augmented plane wave method has been applied for a theoretical study of the band structure, density of states, and electron charge density of a noncentrosymmetric chalcopyrite compound HgGa(2)S(4) using three different approximations for the exchange correlation potential. Our calculations show that the valence band maximum (VBM) and conduction band minimum (CBM) are located at Gamma resulting in a direct energy gap of about 2.0, 2.2, and 2.8 eV for local density approximation (LDA), generalized gradient approximation (GGA), and Engel-Vosko (EVGGA) compared to the experimental value of 2.84 eV. We notice that EVGGA shows excellent agreement with the experimental data. This agreement is attributed to the fact that the Engel-Vosko GGA formalism optimizes the corresponding potential for band structure calculations. We make a detailed comparison of the density of states deduced from the X-ray photoelectron spectra with our calculations. We find that there is a strong covalent bond between the Hg and S atoms and Ga and S atoms. The Hg-Hg, Ga-Ga, and S-S bonds are found to be weaker than the Hg-S and Ga-S bonds showing that a covalent bond exists between Hg and S atoms and Ga and S atoms.

High-resolution X-ray spectra of solar flares. III - General spectral properties of X1-X5 type flares

NASA Technical Reports Server (NTRS)

Doschek, G. A.; Feldman, U.; Kreplin, R. W.; Cohen, L.

1980-01-01

High-resolution X-ray spectra of six class X1-X5 solar flares are discussed. The spectra were recorded by spaceborne Bragg crystal spectrometers in the ranges 1.82-1.97, 2.98-3.07 and 3.14-3.24 A. Electron temperatures derived from dielectronic satellite line to resonance line ratios for Fe XXV and Ca XIX are found to remain fairly constant around 22,000,000 and 16,000,000 K respectively during the rise phase of the flares, then decrease by approximately 6,000,000 K during the decay phase. Nonthermal motions derived from line widths for the April 27, 1979 event are found to be greatest during the rise phase (approximately 130 km/sec) and decrease to about 60 km/sec during decay. Volume emission measures for Fe XXV, Ca XIX and Ca XX are derived from photon fluxes as a function of temperature, and examination of the intensity behavior of the Fe K alpha emission as a function of time indicates that it is a result of fluorescence. Differences between the present and previous observations of temperature variation are discussed, and it is concluded that the flare plasmas are close to ionization equilibrium for the flares investigated.

Effect of aluminum on the local structure of silicon in zeolites as studied by Si K edge X-ray absorption near-edge fine structure: spectra simulation with a non-muffin tin atomic background.

PubMed

Bugaev, Lusegen A; Bokhoven, Jeroen A van; Khrapko, Valerii V

2009-04-09

Experimental Si K edge X-ray absorption near-edge fine structure (XANES) of zeolite faujasite, mordenite, and beta are interpreted by means of the FEFF8 code, replacing the theoretical atomic background mu(0) by a background that was extracted from an experimental spectrum. To some extent, this diminished the effect of the inaccuracy introduced by the MT potential and accounted for the intrinsic loss of photoelectrons. The agreement of the theoretical and experimental spectra at energies above the white lines enabled us to identify structural distortion around silicon, which occurs with increasing aluminum content. The Si K edge XANES spectra are very sensitive to slight distortions in the silicon coordination. Placing an aluminum atom on a nearest neighboring T site causes a distortion in the silicon tetrahedron, shortening one of the silicon-oxygen bonds relative to the other three.

Miniaturized, High-Speed, Modulated X-Ray Source

NASA Technical Reports Server (NTRS)

Gendreau, Keith; Arzoumanian, Zaven; Kenyon, Steve; Spartana, Nick

2013-01-01

A low-cost, miniature x-ray source has been developed that can be modulated in intensity from completely off to full intensity on nanosecond timescales. This modulated x-ray source (MXS) has no filaments and is extremely rugged. The energy level of the MXS is adjustable from 0 to more than 100 keV. It can be used as the core of many new devices, providing the first practical, arbitrarily time-variable source of x-rays. The high-speed switching capability and miniature size make possible many new technologies including x-ray-based communication, compact time-resolved x-ray diffraction, novel x-ray fluorescence instruments, and low- and precise-dose medical x-rays. To make x-rays, the usual method is to accelerate electrons into a target material held at a high potential. When the electrons stop in the target, x-rays are produced with a spectrum that is a function of the target material and the energy to which the electrons are accelerated. Most commonly, the electrons come from a hot filament. In the MXS, the electrons start off as optically driven photoelectrons. The modulation of the x-rays is then tied to the modulation of the light that drives the photoelectron source. Much of the recent development has consisted of creating a photoelectrically-driven electron source that is robust, low in cost, and offers high intensity. For robustness, metal photocathodes were adopted, including aluminum and magnesium. Ultraviolet light from 255- to 350-nm LEDs (light emitting diodes) stimulated the photoemissions from these photocathodes with an efficiency that is maximized at the low-wavelength end (255 nm) to a value of roughly 10(exp -4). The MXS units now have much higher brightness, are much smaller, and are made using a number of commercially available components, making them extremely inexpensive. In the latest MXS design, UV efficiency is addressed by using a high-gain electron multiplier. The photocathode is vapor-deposited onto the input cone of a Burle Magnum

The X-Ray Spectra of Blazars: Analysis of the Complete EXOSAT Archive: Erratum

NASA Astrophysics Data System (ADS)

Sambruna, Rita M.; Barr, Paul; Giommi, Paolo; Maraschi, Laura; Tagliaferri, Gianpiero; Treves, Aldo

1995-07-01

In the paper "The X-Ray Spectra of Blazars: Analysis of the Complete EXOSAT Archive" by Rita M. Sambruna, Paul Barr, Paolo Giommi, Laura Maraschi, Gianpiero Tagliaferri, and Aldo Treves (ApJS, 95,371 [1994]), the section regarding the object PKS 1510-08 (Section 4.4.14) contains an erroneous quotation. K. P. Singh, A.R. Rao, and M.N. Vahia (ApJ, 365,455 [1990]) in fact detected: emission line only in the 1984 data, and not in the 1985 spectrum, as stated.

Anatomy of the AGN in NGC 5548. IX. Photoionized emission features in the soft X-ray spectra

NASA Astrophysics Data System (ADS)

Mao, Junjie; Kaastra, J. S.; Mehdipour, M.; Gu, Liyi; Costantini, E.; Kriss, G. A.; Bianchi, S.; Branduardi-Raymont, G.; Behar, E.; Di Gesu, L.; Ponti, G.; Petrucci, P.-O.; Ebrero, J.

2018-04-01

The X-ray narrow emission line region (NELR) of the archetypal Seyfert 1 galaxy NGC 5548 has been interpreted as a single-phase photoionized plasma that is absorbed by some of the warm absorber components. This scenario requires those overlaying warm absorber components to have larger distance (to the central engine) than the X-ray NELR, which is not fully consistent with the distance estimates found in the literature. Therefore, we reanalyze the high-resolution spectra obtained in 2013-2014 with the Reflection Grating Spectrometer (RGS) aboard XMM-Newton to provide an alternative interpretation of the X-ray narrow emission features. We find that the X-ray narrow emission features in NGC 5548 can be described by a two-phase photoionized plasma with different ionization parameters (logξ = 1.3 and 0.1) and kinematics (vout = -50 and -400 km s-1), and no further absorption by the warm absorber components. The X-ray and optical NELR might be the same multi-phase photoionized plasma. Both X-ray and optical NELR have comparable distances, asymmetric line profiles, and the underlying photoionized plasma is turbulent and compact in size. The X-ray NELR is not the counterpart of the UV/X-ray absorber outside the line of sight because their distances and kinematics are not consistent. In addition, X-ray broad emission features that we find in the spectrum can be accounted for by a third photoionized emission component. The RGS spectrum obtained in 2016 is analyzed as well, where the luminosity of most prominent emission lines (the O VII forbidden line and O VIII Lyα line) are the same (at a 1σ confidence level) as in 2013-2014.

The X-ray photoelectron spectroscopy depth profiling and tribological characterization of ion-plated gold on various metals

NASA Technical Reports Server (NTRS)

Miyoshi, K.; Spalvins, T.; Buckley, D. H.

1983-01-01

For the case of ion-plated gold, the graded interface between gold and a nickel substrate and a nickel substrate, such tribological properties as friction and microhardness are examined by means of X-ray photoelectron spectroscopy analysis and depth profiling. Sliding was conducted against SiC pins in both the adhesive process, where friction arises from adhesion between sliding surfaces, and abrasion, in which friction is due to pin indentation and groove-plowing. Both types of friction are influenced by coating depth, but with opposite trends: the graded interface exhibited the highest adhesion, but the lowest abrasion. The coefficient of friction due to abrasion is inversely related to hardness. Graded interface microhardness values are found to be the highest, due to an alloying effect. There is almost no interface gradation between the vapor-deposited gold film and the substrate.

Surface Evaluation by X-Ray Photoelectron Spectroscopy of High Performance Polyimide Foams After Exposure to Oxygen Plasma

NASA Technical Reports Server (NTRS)

Melendez, Orlando; Hampton, Michael D.; Williams, Martha K.; Brown, Sylvia F.; Nelson, Gordon L.; Weiser, Erik S.

2002-01-01

Aromatic polyimides have been attractive in the aerospace and electronics industries for applications such as cryogenic insulation, flame retardant panels and structural subcomponents. Newer to the arena of polyimides is the synthesis of polyimide foams and their applications. In the present work, three different, closely related, polyimide foams developed by NASA Langley Research Center (LaRC) are studied by X-ray Photoelectron Spectroscopy (XPS) after exposure to radio frequency generated Oxygen Plasma. Although polyimide films exposure to atomic oxygen and plasma have been studied previously and reported, the data relate to films and not foams. Foams have much more surface area and thus present new information to be explored. Understanding degradation mechanisms and properties versus structure, foam versus solid is of interest and fundamental to the application and protection of foams exposed to atomic oxygen in Low Earth Orbit (LEO).

Femtosecond profiling of shaped x-ray pulses

NASA Astrophysics Data System (ADS)

Hoffmann, M. C.; Grguraš, I.; Behrens, C.; Bostedt, C.; Bozek, J.; Bromberger, H.; Coffee, R.; Costello, J. T.; DiMauro, L. F.; Ding, Y.; Doumy, G.; Helml, W.; Ilchen, M.; Kienberger, R.; Lee, S.; Maier, A. R.; Mazza, T.; Meyer, M.; Messerschmidt, M.; Schorb, S.; Schweinberger, W.; Zhang, K.; Cavalieri, A. L.

2018-03-01

Arbitrary manipulation of the temporal and spectral properties of x-ray pulses at free-electron lasers would revolutionize many experimental applications. At the Linac Coherent Light Source at Stanford National Accelerator Laboratory, the momentum phase-space of the free-electron laser driving electron bunch can be tuned to emit a pair of x-ray pulses with independently variable photon energy and femtosecond delay. However, while accelerator parameters can easily be adjusted to tune the electron bunch phase-space, the final impact of these actuators on the x-ray pulse cannot be predicted with sufficient precision. Furthermore, shot-to-shot instabilities that distort the pulse shape unpredictably cannot be fully suppressed. Therefore, the ability to directly characterize the x-rays is essential to ensure precise and consistent control. In this work, we have generated x-ray pulse pairs via electron bunch shaping and characterized them on a single-shot basis with femtosecond resolution through time-resolved photoelectron streaking spectroscopy. This achievement completes an important step toward future x-ray pulse shaping techniques.

Femtosecond profiling of shaped x-ray pulses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hoffmann, M. C.; Grguras, I.; Behrens, C.

Arbitrary manipulation of the temporal and spectral properties of x-ray pulses at free-electron lasers would revolutionize many experimental applications. At the Linac Coherent Light Source at Stanford National Accelerator Laboratory, the momentum phase-space of the free-electron laser driving electron bunch can be tuned to emit a pair of x-ray pulses with independently variable photon energy and femtosecond delay. However, while accelerator parameters can easily be adjusted to tune the electron bunch phase-space, the final impact of these actuators on the x-ray pulse cannot be predicted with sufficient precision. Furthermore, shot-to-shot instabilities that distort the pulse shape unpredictably cannot be fullymore » suppressed. Therefore, the ability to directly characterize the x-rays is essential to ensure precise and consistent control. In this work, we have generated x-ray pulse pairs via electron bunch shaping and characterized them on a single-shot basis with femtosecond resolution through time-resolved photoelectron streaking spectroscopy. Furthermore, this achievement completes an important step toward future x-ray pulse shaping techniques.« less

Femtosecond profiling of shaped x-ray pulses

DOE PAGES

Hoffmann, M. C.; Grguras, I.; Behrens, C.; ...

2018-03-26

Arbitrary manipulation of the temporal and spectral properties of x-ray pulses at free-electron lasers would revolutionize many experimental applications. At the Linac Coherent Light Source at Stanford National Accelerator Laboratory, the momentum phase-space of the free-electron laser driving electron bunch can be tuned to emit a pair of x-ray pulses with independently variable photon energy and femtosecond delay. However, while accelerator parameters can easily be adjusted to tune the electron bunch phase-space, the final impact of these actuators on the x-ray pulse cannot be predicted with sufficient precision. Furthermore, shot-to-shot instabilities that distort the pulse shape unpredictably cannot be fullymore » suppressed. Therefore, the ability to directly characterize the x-rays is essential to ensure precise and consistent control. In this work, we have generated x-ray pulse pairs via electron bunch shaping and characterized them on a single-shot basis with femtosecond resolution through time-resolved photoelectron streaking spectroscopy. Furthermore, this achievement completes an important step toward future x-ray pulse shaping techniques.« less

Hard X-ray imaging from Explorer

NASA Technical Reports Server (NTRS)

Grindlay, J. E.; Murray, S. S.

1981-01-01

Coded aperture X-ray detectors were applied to obtain large increases in sensitivity as well as angular resolution. A hard X-ray coded aperture detector concept is described which enables very high sensitivity studies persistent hard X-ray sources and gamma ray bursts. Coded aperture imaging is employed so that approx. 2 min source locations can be derived within a 3 deg field of view. Gamma bursts were located initially to within approx. 2 deg and X-ray/hard X-ray spectra and timing, as well as precise locations, derived for possible burst afterglow emission. It is suggested that hard X-ray imaging should be conducted from an Explorer mission where long exposure times are possible.

The supersoft X-ray source in V5116 Sagittarii. I. The high resolution spectra

NASA Astrophysics Data System (ADS)

Sala, G.; Ness, J. U.; Hernanz, M.; Greiner, J.

2017-05-01

Context. Classical nova explosions occur on the surface of an accreting white dwarf in a binary system. After ejection of a fraction of the envelope and when the expanding shell becomes optically thin to X-rays, a bright source of supersoft X-rays arises, powered by residual H burning on the surface of the white dwarf. While the general picture of the nova event is well established, the details and balance of accretion and ejection processes in classical novae are still full of unknowns. The long-term balance of accreted matter is of special interest for massive accreting white dwarfs, which may be promising supernova Ia progenitor candidates. Nova V5116 Sgr 2005b was observed as a bright and variable supersoft X-ray source by XMM-Newton in March 2007, 610 days after outburst. The light curve showed a periodicity consistent with the orbital period. During one third of the orbit the luminosity was a factor of seven brighter than during the other two thirds of the orbital period. Aims: In the present work we aim to disentangle the X-ray spectral components of V5116 Sgr and their variability. Methods: We present the high resolution spectra obtained with XMM-Newton RGS and Chandra LETGS/HRC-S in March and August 2007. Results: The grating spectrum during the periods of high-flux shows a typical hot white dwarf atmosphere dominated by absorption lines of N VI and N VII. During the low-flux periods, the spectrum is dominated by an atmosphere with the same temperature as during the high-flux period, but with several emission features superimposed. Some of the emission lines are well modeled with an optically thin plasma in collisional equilibrium, rich in C and N, which also explains some excess in the spectra of the high-flux period. No velocity shifts are observed in the absorption lines, with an upper limit set by the spectral resolution of 500 km s-1, consistent with the expectation of a non-expanding atmosphere so late in the evolution of the post-nova. Based on

Hydrazine reduction of transition metal oxides - In situ characterization using X-ray photoelectron spectroscopy

NASA Technical Reports Server (NTRS)

Littrell, D. M.; Tatarchuk, B. J.

1986-01-01

The transition metal oxides (TMOs) V2O5, FeO3, Co3O4, NiO, CuO, and ZnO were exposed to hydrazine at various pressures. The metallic surfaces were surveyed by in situ X-ray photoelectron spectroscopy to determine the irrelative rate of reduction by hydrazine. The most easily reducible oxide, CuO, could be reduced to the metallic state at room temperature and 10 to the -6th torr. The reaction is first order with respect to CuO, with an activation energy of about 35 kJ/mol. Two types of adsorption were seen to occur at 295 K: (1) a reversible component in which the measured N:Cu ratio increased to 0.60 at hydrazine pressures up to 0.5 torr, and (2) an irreversible component, with a N:Cu ratio of 0.28, which could not be removed by extended vacuum pumping. The results of this study are useful for the identification of TMO's that can be used as solid neatallizers of hydrazine spills, and for the preparation of metal surfaces for electroplating and evaporative thin-film coating.

X-Ray Photoelectron Spectroscopy and Tribology Studies of Annealed Fullerene-like WS2 Nanoparticles

NASA Astrophysics Data System (ADS)

Kopnov, F.; Tenne, R.; Späth, B.; Jägermann, W.; Cohen, H.; Feldman, Y.; Zak, A.; Moshkovich, A.; Rapoport, L.

The temporal chemical changes occurring at the surface of fullerene-like (IF) nanoparticles of WS2 were investigated using X-ray photo-electron spectroscopy (XPS) and compared to those of bulk powder (2H) of the same material. It is possible to follow the long term (surface oxidation and carbonization) occurring at defects on the outermost surface (0001) layer of the fullerene-like nanoparticles. Similar but perhaps more distinctive changes are observed on the prismatic (hk0) surfaces of the 2H powder. Vacuum annealing is shown to remove most of these changes and bring the surface close to its stoichiometric composition. In accordance with previous measurements, further evidence is obtained for the existence of water molecules which are entrapped in the hollow core and interstitial defects of the fullerene-like nanoparticles during the synthesis. They are also shown to be removed by the vacuum annealing process. Chemically resolved electrical measurements (CREM) in the XPS show that the vacuum annealed IF samples become more intrinsic. Finally, tribological measurements show that the vacuum annealed IF samples perform better as an additive to oil than the non-annealed IF samples and the bulk (2H) platelets powder.

Atomic Data Needs for X-Ray Astronomy

NASA Technical Reports Server (NTRS)

Kallman, Timothy; White, Nicholas E. (Technical Monitor)

1999-01-01

This publication contains written versions of most of the invited talks presented at the workshop on Atomic Data Needs for X-ray Astronomy which was held at NASA's Goddard Space Flight Center on December 16-1 7 1999. The idea of hosting such a workshop emerged from an imminent need to update and complete current atomic datasets in anticipation of a new era of high quality X-ray spectra starting with the launching of Chandra and XMM-Newton observatories. At first, our vision of the workshop was of a short and limited attendance event, given the specialization of the topic. But it, was soon realized, from the response to the first workshop announcement, that the topic was of much interest, to researchers working in X-ray spectra (physicists and astronomers). As a result, the workshop grew to approximately 120 participants from several countries. The kind of atomic data that interests us are those parameters needed for analysis and modeling of spectra shortward of about about 100 A and relevant to ionic species of astronomical interest. The physical mechanisms of interest in the formation of spectra include photoionization. collisional ionization, recombination (radiative and dielectronic). collisional excitation (by electrons and protons). and radiative deexcitation. Unique to X-ray spectroscopy are the ionization and excitation processes from inner-closed shells. in addition to the challenges in interpret,ing the medium resolution (epsilon/delta epsilon is about 0.05 - 0.1) data obtained by current X-ray astronomy experiments. Line wavelengths are of interest too, particularly owing to the high resolution spectra from the new experiments. The workshop was divided into five major areas: Observational Spectroscopy, Theoretical Calculations of Atomic Data, Laboratory Measurements of Atomic Parameters. Spectra Modeling, and Atomic Databases. One comforting finding from the work shop is that the enthusiasm felt by X-ray astronomers about the new observational missions

X-ray excitation fluorescence spectra of the Eu2+-stabilized VK center in alkaline-earth fluoride mixed-crystal systems

NASA Astrophysics Data System (ADS)

Kawano, K.; Ohya, T.; Tsurumi, T.; Katoh, K.; Nakata, R.

1999-11-01

X-ray excitation fluorescence spectra were investigated for MF2:Eu (M=Ca, Sr, and Ba) and their mixed-crystal systems, Ca1-xSrxF2 and Sr1-xBaxF2 with the same fluorite structure. The UV recombination fluorescence band of the VK center associated with blue emission due to the f-d transition of Eu2+ ions was observed with changing mixture ratios x at room temperature. Two sets of weak spectra due to f-f transitions of Eu3+ ions also appeared in the 500-600-nm wavelength region. The peak wavelengths and the integrated intensities of the observed fluorescence were investigated as a function of the Eu concentration as well as the mixture ratio. For the blue emission of Eu2+, pulsed x-ray excitation resulted in shorter lifetimes (500-800 ns) than optical excitation, suggesting energy transfers between the excited states of VK centers and Eu2+. A kinematical fluorescence mechanism was proposed, taking into account the formation of a close pair of a hopping VK center and an immobile Eu2+ ion followed by an energy transfer from the former to the latter. Based on the calculated fluorescence decay curves best fitted to the response curves by x-ray pulse excitation, the energy transfer rates from VK centers to Eu2+ were estimated.

The cyclopropene radical cation: Rovibrational level structure at low energies from high-resolution photoelectron spectra

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vasilatou, K.; Michaud, J. M.; Baykusheva, D.

2014-08-14

The cyclopropene radical cation (c-C{sub 3}H{sub 4}{sup +}) is an important but poorly characterized three-membered-ring hydrocarbon. We report on a measurement of the high-resolution photoelectron and photoionization spectra of cyclopropene and several deuterated isotopomers, from which we have determined the rovibrational energy level structure of the X{sup ~+} {sup 2}B{sub 2} ground electronic state of c-C{sub 3}H{sub 4}{sup +} at low energies for the first time. The synthesis of the partially deuterated isotopomers always resulted in mixtures of several isotopomers, differing in their number of D atoms and in the location of these atoms, so that the photoelectron spectra ofmore » deuterated samples are superpositions of the spectra of several isotopomers. The rotationally resolved spectra indicate a C{sub 2v}-symmetric R{sub 0} structure for the ground electronic state of c-C{sub 3}H{sub 4}{sup +}. Two vibrational modes of c-C{sub 3}H{sub 4}{sup +} are found to have vibrational wave numbers below 300 cm{sup −1}, which is surprising for such a small cyclic hydrocarbon. The analysis of the isotopic shifts of the vibrational levels enabled the assignment of the lowest-frequency mode (fundamental wave number of ≈110 cm{sup −1} in c-C{sub 3}H{sub 4}{sup +}) to the CH{sub 2} torsional mode (ν{sub 8}{sup +}, A{sub 2} symmetry) and of the second-lowest-frequency mode (≈210 cm{sup −1} in c-C{sub 3}H{sub 4}{sup +}) to a mode combining a CH out-of-plane with a CH{sub 2} rocking motion (ν{sub 15}{sup +}, B{sub 2} symmetry). The potential energy along the CH{sub 2} torsional coordinate is flat near the equilibrium structure and leads to a pronounced anharmonicity.« less

X-Ray Spectra of Young Pulsars and Their Wind Nebulae: Dependence on Spin-Down Energy Loss Rate

NASA Technical Reports Server (NTRS)

Gotthelf, E. V.

2003-01-01

An observational model is presented for the spectra of young rotation-powered pulsars and their nebulae based on a study of nine bright Crab-like pulsar systems observed with the Chandra X-ray observatory. A significant correlation is discovered between the X-ray spectra of these pulsars and that of their associated pulsar wind nebulae, both of which are observed to be a function of the spin-down energy loss rate, E. The 2-10 keV spectra of these objects are well characterized by an absorbed power-law model with photon indices, Gamma, in the range of 0.6 < Gamma (sub PSR) < 2.1 and 1.3 < Gamma(sub PWN) < 2.3, for the pulsars and their nebulae, respectively. A linear regression fit relating these two sets of indexes yields Gamma(sub PWN) = 0.91 +/- 0.18 + (0.66 +/- 0.11) Gamma (sub PSR), with a correlation coefficient of r = 0.97. The spectra of these pulsars are found to steepen as Gamma = Gamma(sub max) + alpha E (exp -1/2), with Gamma(sub max) providing an observational limit on the spectral slopes of young rotation-powered pulsars. These results reveal basic properties of young pulsar systems, allow new observational constraints on models of pulsar wind emission, and provide a means of predicting the energetics of pulsars lacking detected pulsations.

The BL LAC phenomenon: X-ray observations of transition objects and determination of the x-ray spectrum of a complete sample of flat-spectrum radio sources

NASA Technical Reports Server (NTRS)

Worrall, Diana M.

1994-01-01

This report summarizes the activities related to two ROSAT investigations: (1) x-ray properties of radio galaxies thought to contain BL Lac type nuclei; and (2) x-ray spectra of a complete sample of flat-spectrum radio sources. The following papers describing the research are provided as attachments: Multiple X-ray Emission Components in Low Power Radio Galaxies; New X-ray Results on Radio Galaxies; Analysis Techniques for a Multiwavelength Study of Radio Galaxies; Separation of X-ray Emission Components in Radio Galaxies; X-ray Emission in Powerful Radio Galaxies and Quasars; Extended and Compact X-ray Emission in Powerful Radio Galaxies; and X-ray Spectra of a Complete Sample of Extragalactic Core-dominated Radio Sources.

Symbiotic Stars in X-rays

NASA Technical Reports Server (NTRS)

Luna, G. J. M.; Sokoloski, J. L.; Mukai, K.; Nelson, T.

2014-01-01

Until recently, symbiotic binary systems in which a white dwarf accretes from a red giant were thought to be mainly a soft X-ray population. Here we describe the detection with the X-ray Telescope (XRT) on the Swift satellite of 9 white dwarf symbiotics that were not previously known to be X-ray sources and one that was previously detected as a supersoft X-ray source. The 9 new X-ray detections were the result of a survey of 41 symbiotic stars, and they increase the number of symbiotic stars known to be X-ray sources by approximately 30%. Swift/XRT detected all of the new X-ray sources at energies greater than 2 keV. Their X-ray spectra are consistent with thermal emission and fall naturally into three distinct groups. The first group contains those sources with a single, highly absorbed hard component, which we identify as probably coming from an accretion-disk boundary layer. The second group is composed of those sources with a single, soft X-ray spectral component, which likely arises in a region where low-velocity shocks produce X-ray emission, i.e. a colliding-wind region. The third group consists of those sources with both hard and soft X-ray spectral components. We also find that unlike in the optical, where rapid, stochastic brightness variations from the accretion disk typically are not seen, detectable UV flickering is a common property of symbiotic stars. Supporting our physical interpretation of the two X-ray spectral components, simultaneous Swift UV photometry shows that symbiotic stars with harder X-ray emission tend to have stronger UV flickering, which is usually associated with accretion through a disk. To place these new observations in the context of previous work on X-ray emission from symbiotic stars, we modified and extended the alpha/beta/gamma classification scheme for symbiotic-star X-ray spectra that was introduced by Muerset et al. based upon observations with the ROSAT satellite, to include a new sigma classification for sources with

Dynamic light scattering and X-ray photoelectron spectroscopy characterization of PEGylated polymer nanocarriers: internal structure and surface properties.

PubMed

Celasco, Edvige; Valente, Ilaria; Marchisio, Daniele L; Barresi, Antonello A

2014-07-22

In this work, nanospheres and nanocapsules are precipitated in confined impinging jet mixers through solvent displacement and characterized. Acetone and water are used as the solvent and antisolvent, respectively, together with polymethoxypolyethylene glycol cyanoacrylate-co-hexadecylcyanoacrylate and Miglyol as the copolymer and oil, respectively. Characterization is performed with dynamic light scattering, with electrophoretic measurements, and for the first time with X-ray photoelectron spectroscopy. Results show that the presence of polyethylene glycol chains seems to be more pronounced on the surface of nanospheres than on that of nanocapsules. The thickness of the copolymer layer in nanocapsules ranges from 1 to 10 nm, depending on the value of the oil:copolymer mass ratio. Fast dilution is confirmed to have a positive effect in suppressing aggregation but can induce further copolymer precipitation.

Soft X-ray scanning transmission X-ray microscopy (STXM) of actinide particles.

PubMed

Nilsson, Hans J; Tyliszczak, Tolek; Wilson, Richard E; Werme, Lars; Shuh, David K

2005-09-01

A descriptive account is given of our most recent research on the actinide dioxides with the Advanced Light Source Molecular Environmental Science (ALS-MES) Beamline 11.0.2 soft X-ray scanning transmission X-ray microscope (STXM) at the Lawrence Berkeley National Laboratory (LBNL). The ALS-MES STXM permits near-edge X-ray absorption fine structure (NEXAFS) and imaging with 30-nm spatial resolution. The first STXM spectromicroscopy NEXAFS spectra at the actinide 4d5/2 edges of the imaged transuranic particles, NpO2 and PuO2, have been obtained. Radiation damage induced by the STXM was observed in the investigation of a mixed oxidation state particle (Np(V,VI)) and was minimized during collection of the actual spectra at the 4d5/2 edge of the Np(V,VI) solid. A plutonium elemental map was obtained from an irregular PuO2 particle with the dimensions of 650 x 650 nm. The Pu 4d5/2 NEXAFS spectra were collected at several different locations from the PuO2 particle and were identical. A representative oxygen K-edge spectrum from UO2 was collected and resembles the oxygen K-edge from the bulk material. The unique and current performance of the ALS-MES STXM at extremely low energies (ca. 100 eV) that may permit the successful measurement of the actinide 5d edge is documented. Finally, the potential of STXM as a tool for actinide investigations is briefly discussed.

Near-edge X-ray refraction fine structure microscopy

DOE PAGES

Farmand, Maryam; Celestre, Richard; Denes, Peter; ...

2017-02-06

We demonstrate a method for obtaining increased spatial resolution and specificity in nanoscale chemical composition maps through the use of full refractive reference spectra in soft x-ray spectro-microscopy. Using soft x-ray ptychography, we measure both the absorption and refraction of x-rays through pristine reference materials as a function of photon energy and use these reference spectra as the basis for decomposing spatially resolved spectra from a heterogeneous sample, thereby quantifying the composition at high resolution. While conventional instruments are limited to absorption contrast, our novel refraction based method takes advantage of the strongly energy dependent scattering cross-section and can seemore » nearly five-fold improved spatial resolution on resonance.« less

Electronic structure and optical properties of Cs2HgCl4: DFT calculations and X-ray photoelectron spectroscopy measurements

NASA Astrophysics Data System (ADS)

Lavrentyev, A. A.; Gabrelian, B. V.; Vu, V. T.; Parasyuk, O. V.; Fedorchuk, A. O.; Khyzhun, O. Y.

2016-10-01

A high-quality single crystal of cesium mercury tetrabromide, Cs2HgCl4, was synthesized by using the vertical Bridgman-Stockbarger method and its electronic structure was studied from both experimental and theoretical viewpoints. In particular, X-ray photoelectron spectra were measured for both pristine and Ar+ ion-bombarded Cs2HgCl4 single crystal surfaces. The present XPS measurements indicate that the Cs2HgCl4 single crystal surface is sensitive with respect to Ar+ ion-bombardment: such a treatment changes substantially its elemental stoichiometry. With the aim of exploring total and partial densities of states within the valence band and conduction band regions of the Cs2HgCl4 compound, band-structure calculations based on density functional theory (DFT) using the augmented plane wave + local orbitals (APW + lo) method as incorporated within the WIEN2k package are performed. The calculations indicate that the Cl 3p states are the principal contributors in the upper portion of the valence band, while the Hg 5d and Cs 5p states dominate in its lower portion. In addition, the calculations allow for concluding that the unoccupied Cl p and Hg s states are the main contributors to the bottom of the conduction band. Furthermore, main optical characteristics of Cs2HgCl4, namely dispersion of the absorption coefficient, real and imaginary parts of dielectric function, electron energy-loss spectrum, refractive index, extinction coefficient and optical reflectivity, are elucidated based on the DFT calculations.

Bulk sensitive hard x-ray photoemission electron microscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Patt, M., E-mail: m.patt@fz-juelich.de; Wiemann, C.; Weber, N.

Hard x-ray photoelectron spectroscopy (HAXPES) has now matured into a well-established technique as a bulk sensitive probe of the electronic structure due to the larger escape depth of the highly energetic electrons. In order to enable HAXPES studies with high lateral resolution, we have set up a dedicated energy-filtered hard x-ray photoemission electron microscope (HAXPEEM) working with electron kinetic energies up to 10 keV. It is based on the NanoESCA design and also preserves the performance of the instrument in the low and medium energy range. In this way, spectromicroscopy can be performed from threshold to hard x-ray photoemission. Themore » high potential of the HAXPEEM approach for the investigation of buried layers and structures has been shown already on a layered and structured SrTiO{sub 3} sample. Here, we present results of experiments with test structures to elaborate the imaging and spectroscopic performance of the instrument and show the capabilities of the method to image bulk properties. Additionally, we introduce a method to determine the effective attenuation length of photoelectrons in a direct photoemission experiment.« less

Photoelectron spectra and biological activity of cinnamic acid derivatives revisited.

PubMed

Novak, Igor; Klasinc, Leo; McGlynn, Sean P

2018-01-15

The electronic structures of several derivatives of cinnamic acid have been studied by UV photoelectron spectroscopy (UPS) and Green's function quantum chemical calculations. The spectra reveal the presence of dimers in the gas phase for p-coumaric and ferulic acids. The electronic structure analysis has been related to the biological properties of these compounds through the analysis of some structure-activity relationships (SAR). Copyright © 2017 Elsevier B.V. All rights reserved.

Sample-morphology effects on x-ray photoelectron peak intensities. II. Estimation of detection limits for thin-film materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Powell, Cedric J., E-mail: cedric.powell@nist.gov; Werner, Wolfgang S. M.; Smekal, Werner

2014-09-01

The authors show that the National Institute of Standards and Technology database for the simulation of electron spectra for surface analysis (SESSA) can be used to determine detection limits for thin-film materials such as a thin film on a substrate or buried at varying depths in another material for common x-ray photoelectron spectroscopy (XPS) measurement conditions. Illustrative simulations were made for a W film on or in a Ru matrix and for a Ru film on or in a W matrix. In the former case, the thickness of a W film at a given depth in the Ru matrix wasmore » varied so that the intensity of the W 4d{sub 5/2} peak was essentially the same as that for a homogeneous RuW{sub 0.001} alloy. Similarly, the thickness of a Ru film at a selected depth in the W matrix was varied so that the intensity of the Ru 3p{sub 3/2} peak matched that from a homogeneous WRu{sub 0.01} alloy. These film thicknesses correspond to the detection limits of each minor component for measurement conditions where the detection limits for a homogeneous sample varied between 0.1 at. % (for the RuW{sub 0.001} alloy) and 1 at. % (for the WRu{sub 0.01} alloy). SESSA can be similarly used to convert estimates of XPS detection limits for a minor species in a homogeneous solid to the corresponding XPS detection limits for that species as a thin film on or buried in the chosen solid.« less

THE X-RAY LINE FEATURE AT 3.5 KeV IN GALAXY CLUSTER SPECTRA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Phillips, K. J. H.; Sylwester, B.; Sylwester, J., E-mail: kennethjhphillips@yahoo.com, E-mail: bs@cbk.pan.wroc.pl, E-mail: js@cbk.pan.wroc.pl

2015-08-10

Recent work by Bulbul et al. and Boyarsky et al. has suggested that a line feature at ∼3.5 keV in the X-ray spectra of galaxy clusters and individual galaxies seen with XMM-Newton is due to the decay of sterile neutrinos, a dark matter candidate. This identification has been criticized by Jeltema and Profumo on the grounds that model spectra suggest that atomic transitions in helium-like potassium (K xviii) and chlorine (Cl xvi) are more likely to be the emitters. Here it is pointed out that the K xviii lines have been observed in numerous solar flare spectra at high spectralmore » resolution with the RESIK crystal spectrometer and also appear in Chandra HETG spectra of the coronally active star σ Gem. In addition, the solar flare spectra at least indicate a mean coronal potassium abundance, which is a factor between 9 and 11 higher than the solar photospheric abundance. This fact, together with the low statistical quality of the XMM-Newton spectra, completely account for the ∼3.5 keV feature and there is therefore no need to invoke a sterile neutrino interpretation of the observed line feature at ∼3.5 keV.« less

Impact of rare earth element added filters on the X-ray beam spectra: a Monte Carlo approach.

PubMed

Eskandarlou, Amir; Jafari, Amir Abbas; Mohammadi, Mohammad; Zehtabian, Mehdi; Faghihi, Reza; Shokri, Abbas; Pourolajal, Jalal

2014-01-01

The effectiveness of added filters including conventional and rare earth materials for dental radiography tasks was investigated using a simulation approach. Current study focuses on the combination of a range of various filters to investigate the reduction of radiation absorbed dose and improving the quality of a radiography image. To simulate the X-ray beam spectrum, a MCNP5 code was applied. Relative intensity, beam quality, and mean energy were investigated for a typical dental radiography machine. The impact of different rare-earth materials with different thicknesses and tube voltages on the X-ray spectrum was investigated. For Aluminum as a conventional filter, the modeled X-ray spectra and HVL values were in a good agreement with those reported by IPEM. The results showed that for a 70 kVp voltage, with an increase of the thickness and atomic number of a given added filters, an increase of HVL values were observed. However, with the increase of the attenuator thickness, X-ray beam intensity decreases. For mean energy, different results were observed. It was also found that rare earth made filters reduce high energy X-ray radiation due to k-edge absorption. This leads to an ideal beam for intra-oral radiography tasks. However, as a disadvantage of rare earth added filters, the reduction of the tube output levels should also be considered.

High Resolution Spectroscopy of X-ray Quasars: Searching for the X-ray Absorption from the Warm-Hot Intergalactic Medium

NASA Technical Reports Server (NTRS)

Fang, Taotao; Canizares, Claude R.; Marshall, Herman L.

2004-01-01

We present a survey of six low to moderate redshift quasars with Chandra and XMM-Newton. The primary goal is to search for the narrow X-ray absorption lines produced by highly ionized metals in the Warm-Hot Intergalactic Medium. All the X-ray spectra can be well fitted by a power law with neutral hydrogen absorption. Only one feature is detected at above 3-sigma level in all the spectra, which is consistent with statistic fluctuation. We discuss the implications in our understanding of the baryon content of the universe. We also discuss the implication of the non-detection of the local (z approx. 0) X-ray absorption.

Exploring coherent electron excitation and migration dynamics by electron diffraction with ultrashort X-ray pulses.

PubMed

Yuan, Kai-Jun; Bandrauk, André D

2017-10-04

Exploring ultrafast charge migration is of great importance in biological and chemical reactions. We present a scheme to monitor attosecond charge migration in molecules by electron diffraction with spatial and temporal resolutions from ab initio numerical simulations. An ultraviolet pulse creates a coherent superposition of electronic states, after which a time-delayed attosecond X-ray pulse is used to ionize the molecule. It is found that diffraction patterns in the X-ray photoelectron spectra show an asymmetric structure, which is dependent on the time delay between the pump-probe pulses, encoding the information of molecular orbital symmetry and chemical bonding. We describe these phenomena by developing an electronic time-dependent ultrafast molecular photoionization model of a coherent superposition state. The periodical distortion of electron diffraction patterns illustrates the evolution of the electronic coherence, providing a tool for attosecond imaging of ultrafast molecular reaction processes.

Laser-pump/X-ray-probe experiments with electrons ejected from a Cu(111) target: space-charge acceleration.

PubMed

Schiwietz, G; Kühn, D; Föhlisch, A; Holldack, K; Kachel, T; Pontius, N

2016-09-01

A comprehensive investigation of the emission characteristics for electrons induced by X-rays of a few hundred eV at grazing-incidence angles on an atomically clean Cu(111) sample during laser excitation is presented. Electron energy spectra due to intense infrared laser irradiation are investigated at the BESSY II slicing facility. Furthermore, the influence of the corresponding high degree of target excitation (high peak current of photoemission) on the properties of Auger and photoelectrons liberated by a probe X-ray beam is investigated in time-resolved pump and probe measurements. Strong electron energy shifts have been found and assigned to space-charge acceleration. The variation of the shift with laser power and electron energy is investigated and discussed on the basis of experimental as well as new theoretical results.

X-ray Spectral Formation In High-mass X-ray Binaries: The Case Of Vela X-1

NASA Astrophysics Data System (ADS)

Akiyama, Shizuka; Mauche, C. W.; Liedahl, D. A.; Plewa, T.

2007-05-01

We are working to develop improved models of radiatively-driven mass flows in the presence of an X-ray source -- such as in X-ray binaries, cataclysmic variables, and active galactic nuclei -- in order to infer the physical properties that determine the X-ray spectra of such systems. The models integrate a three-dimensional time-dependent hydrodynamics capability (FLASH); a comprehensive and uniform set of atomic data, improved calculations of the line force multiplier that account for X-ray photoionization and non-LTE population kinetics, and X-ray emission-line models appropriate to X-ray photoionized plasmas (HULLAC); and a Monte Carlo radiation transport code that simulates Compton scattering and recombination cascades following photoionization. As a test bed, we have simulated a high-mass X-ray binary with parameters appropriate to Vela X-1. While the orbital and stellar parameters of this system are well constrained, the physics of X-ray spectral formation is less well understood because the canonical analytical wind velocity profile of OB stars does not account for the dynamical and radiative feedback effects due to the rotation of the system and to the irradiation of the stellar wind by X-rays from the neutron star. We discuss the dynamical wind structure of Vela X-1 as determined by the FLASH simulation, where in the binary the X-ray emission features originate, and how the spatial and spectral properties of the X-ray emission features are modified by Compton scattering, photoabsorption, and fluorescent emission. This work was performed under the auspices of the U.S. Department of Energy by University of California, Lawrence Livermore National Laboratory under Contract W-7405-Eng-48.

Combining X-ray and neutron crystallography with spectroscopy.

PubMed

Kwon, Hanna; Smith, Oliver; Raven, Emma Lloyd; Moody, Peter C E

2017-02-01

X-ray protein crystallography has, through the determination of the three-dimensional structures of enzymes and their complexes, been essential to the understanding of biological chemistry. However, as X-rays are scattered by electrons, the technique has difficulty locating the presence and position of H atoms (and cannot locate H + ions), knowledge of which is often crucially important for the understanding of enzyme mechanism. Furthermore, X-ray irradiation, through photoelectronic effects, will perturb the redox state in the crystal. By using single-crystal spectrophotometry, reactions taking place in the crystal can be monitored, either to trap intermediates or follow photoreduction during X-ray data collection. By using neutron crystallography, the positions of H atoms can be located, as it is the nuclei rather than the electrons that scatter neutrons, and the scattering length is not determined by the atomic number. Combining the two techniques allows much greater insight into both reaction mechanism and X-ray-induced photoreduction.

X-ray Timing Measurements

NASA Technical Reports Server (NTRS)

Strohmayer, T.

2008-01-01

We present new, extended X-ray timing measurements of the ultra-compact binary candidates V407 Vul and RX J0806.3+1527 (J0806), as well as a summary of the first high resolution X-ray spectra of 50806 obtained with the Chandra/LETG. The temporal baseline for both objects is approximately 12 years, and our measurements confirm the secular spin-up in their X-ray periods. The spin-up rate in 50806 is remarkably uniform at 3.55x10(exp -16)Hz/s, with a measurement precision of 0.2%. We place a limit (90% confidence) on 1 d dot nu < 4x10(exp -26)Hz/sq s. Interestingly, for V407 Vul we find the first evidence that the spin-up rate is slowing, with d dot\

X-ray edge spectra — a sea-boson perspective

NASA Astrophysics Data System (ADS)

Setlur, Girish S.; Meera, V.

2007-07-01

The well-studied X-ray-edge problem is revisited using the sea-boson method. This approach is contrasted with the well-known theories of Mahan, Nozières and De Dominicis (MND). The present approach does not use the sudden approximation and the holes carry a momentum label unlike in the MND theory. We focus on the case of doped semiconductors rather than metals. The problem of electrons in a partially filled conduction band and holes in the initially hole-depleted valence band is recast in the sea-boson language. The resulting hamiltonian is shown to be equivalent to the electron-phonon hamiltonian with the excitons taking on the role of electrons and intra-conduction band particle-hole excitations known as 'conductrons' taking on the role of phonons. It is shown that the excitonic pole in the computed absorption spectra is replaced by a branch cut with a simple radical leading to a broadening of the exicton line due to these many-body effects. A critical comparison is made with the MND theory as well as with relevant experiments.

High-resolution X-ray spectra of solar flares. IV - General spectral properties of M type flares

NASA Technical Reports Server (NTRS)

Feldman, U.; Doschek, G. A.; Kreplin, R. W.; Mariska, J. T.

1980-01-01

The spectral characteristics in selected narrow regions of the X-ray spectrum of class M solar flares are analyzed. High-resolution spectra in the ranges 1.82-1.97, 2.98-3.07, 3.14-3.24 and 8.26-8.53 A, which contain lines important for the determination of electron temperature and departure from ionization equilibrium, were recorded by spaceborne Bragg crystal spectrometers. Temperatures of up to 20,000,000 K are obtained from line ratios during flare rise phases in M as well as X flares, while in the decay phase the calcium temperature can be as low as 8,000,000 K, which is significantly lower than in X flares. Large nonthermal motions (on the order of 130 km/sec at most) are also observed in M as well as X flares, which are largest during the soft X-ray rise phase. Finally, it is shown that the method proposed by Gabriel and Phillips (1979) for detecting departures of electrons from Maxwellian velocity distributions is not sufficiently sensitive to give reliable results for the present data.

Electronic structure of rare-earth chromium antimonides RECrSb{sub 3} (RE=La-Nd, Sm, Gd-Dy, Yb) by X-ray photoelectron spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Crerar, Shane J.; Mar, Arthur, E-mail: arthur.mar@ualberta.ca; Grosvenor, Andrew P.

The electronic structure of the ternary rare-earth chromium antimonides RECrSb{sub 3} (RE=La-Nd, Sm, Gd-Dy, Yb) has been examined by high-resolution X-ray photoelectron spectroscopy (XPS) for the first time. The RE 3d or 4d core-line spectra are substantially complicated by the presence of satellite peaks but their general resemblance to those of RE{sub 2}O{sub 3} tends to support the presence of trivalent RE atoms in RECrSb{sub 3}. However, the Yb 4d spectrum of YbCrSb{sub 3} also shows peaks that are characteristic of divalent ytterbium. The Cr 2p core-line spectra exhibit asymmetric lineshapes and little change in binding energy (BE) relative tomore » Cr metal, providing strong evidence for electronic delocalization. The Sb 3d core-line spectra reveal slightly negative BE shifts relative to elemental antimony, supporting the presence of anionic Sb species in RECrSb{sub 3}. The experimental valence band spectrum of LaCrSb{sub 3} matches well with the calculated density of states, and it can be fitted to component peaks belonging to individual atoms to yield an average formulation that agrees well with expectations ('La{sup 3+}Cr{sup 3+}(Sb{sup 2-}){sub 3}'). On progressing from LaCrSb{sub 3} to NdCrSb{sub 3}, the 4f-band in the valence band spectra grows in intensity and shifts to higher BE. The valence band spectrum for YbCrSb{sub 3} also supports the presence of divalent ytterbium. - Graphical Abstract: In their valence band spectra, the 4f-band intensifies and shifts to higher BE on progressing from LaCrSb{sub 3} to NdCrSb{sub 3}. Highlights: Black-Right-Pointing-Pointer High-resolution core-line and valence band XPS spectra were measured for RECrSb{sub 3}. Black-Right-Pointing-Pointer Divalent Yb is present in YbCrSb{sub 3}, in contrast to trivalent RE in other members. Black-Right-Pointing-Pointer Asymmetric Cr 2p spectral lineshape confirms delocalization of Cr valence electrons. Black-Right-Pointing-Pointer Small negative Sb 3d BE shifts support

Correcting X-ray spectra obtained from the AXAF VETA-I mirror calibration for pileup, continuum, background and deadtime

NASA Technical Reports Server (NTRS)

Chartas, G.; Flanagan, K.; Hughes, J. P.; Kellogg, E. M.; Nguyen, D.; Zombek, M.; Joy, M.; Kolodziejezak, J.

1993-01-01

The VETA-I mirror was calibrated with the use of a collimated soft X-ray source produced by electron bombardment of various anode materials. The FWHM, effective area and encircled energy were measured with the use of proportional counters that were scanned with a set of circular apertures. The pulsers from the proportional counters were sent through a multichannel analyzer that produced a pulse height spectrum. In order to characterize the properties of the mirror at different discrete photon energies one desires to extract from the pulse height distribution only those photons that originated from the characteristic line emission of the X-ray target source. We have developed a code that fits a modeled spectrum to the observed X-ray data, extracts the counts that originated from the line emission, and estimates the error in these counts. The function that is fitted to the X-ray spectra includes a Prescott function for the resolution of the detector a second Prescott function for a pileup peak and a X-ray continuum function. The continuum component is determined by calculating the absorption of the target Bremsstrahlung through various filters, correcting for the reflectivity of the mirror and convolving with the detector response.

Correcting x ray spectra obtained from the AXAF VETA-I mirror calibration for pileup, continuum, background and deadtime

NASA Technical Reports Server (NTRS)

Chartas, G.; Flanagan, Kathy; Hughes, John P.; Kellogg, Edwin M.; Nguyen, D.; Zombeck, M.; Joy, M.; Kolodziejezak, J.

1992-01-01

The VETA-I mirror was calibrated with the use of a collimated soft X-ray source produced by electron bombardment of various anode materials. The FWHM, effective area and encircled energy were measured with the use of proportional counters that were scanned with a set of circular apertures. The pulsers from the proportional counters were sent through a multichannel analyzer that produced a pulse height spectrum. In order to characterize the properties of the mirror at different discrete photon energies one desires to extract from the pulse height distribution only those photons that originated from the characteristic line emission of the X-ray target source. We have developed a code that fits a modeled spectrum to the observed X-ray data, extracts the counts that originated from the line emission, and estimates the error in these counts. The function that is fitted to the X-ray spectra includes a Prescott function for the resolution of the detector a second Prescott function for a pileup peak and a X-ray continuum function. The continuum component is determined by calculating the absorption of the target Bremsstrahlung through various filters correcting for the reflectivity of the mirror and convolving with the detector response.

Photoelectron Energy Loss in Al(002) Revisited: Retrieval of the Single Plasmon Loss Energy Distribution by a Fourier Transform Method

NASA Astrophysics Data System (ADS)

Santana, Victor Mancir da Silva; David, Denis; de Almeida, Jailton Souza; Godet, Christian

2018-06-01

A Fourier transform (FT) algorithm is proposed to retrieve the energy loss function (ELF) of solid surfaces from experimental X-ray photoelectron spectra. The intensity measured over a broad energy range towards lower kinetic energies results from convolution of four spectral distributions: photoemission line shape, multiple plasmon loss probability, X-ray source line structure and Gaussian broadening of the photoelectron analyzer. The FT of the measured XPS spectrum, including the zero-loss peak and all inelastic scattering mechanisms, being a mathematical function of the respective FT of X-ray source, photoemission line shape, multiple plasmon loss function, and Gaussian broadening of the photoelectron analyzer, the proposed algorithm gives straightforward access to the bulk ELF and effective dielectric function of the solid, assuming identical ELF for intrinsic and extrinsic plasmon excitations. This method is applied to aluminum single crystal Al(002) where the photoemission line shape has been computed accurately beyond the Doniach-Sunjic approximation using the Mahan-Wertheim-Citrin approach which takes into account the density of states near the Fermi level; the only adjustable parameters are the singularity index and the broadening energy D (inverse hole lifetime). After correction for surface plasmon excitations, the q-averaged bulk loss function, q , of Al(002) differs from the optical value Im[- 1 / ɛ( E, q = 0)] and is well described by the Lindhard-Mermin dispersion relation. A quality criterion of the inversion algorithm is given by the capability of observing weak interband transitions close to the zero-loss peak, namely at 0.65 and 1.65 eV in ɛ( E, q) as found in optical spectra and ab initio calculations of aluminum.

Photoelectron Energy Loss in Al(002) Revisited: Retrieval of the Single Plasmon Loss Energy Distribution by a Fourier Transform Method

NASA Astrophysics Data System (ADS)

Santana, Victor Mancir da Silva; David, Denis; de Almeida, Jailton Souza; Godet, Christian

2018-04-01

A Fourier transform (FT) algorithm is proposed to retrieve the energy loss function (ELF) of solid surfaces from experimental X-ray photoelectron spectra. The intensity measured over a broad energy range towards lower kinetic energies results from convolution of four spectral distributions: photoemission line shape, multiple plasmon loss probability, X-ray source line structure and Gaussian broadening of the photoelectron analyzer. The FT of the measured XPS spectrum, including the zero-loss peak and all inelastic scattering mechanisms, being a mathematical function of the respective FT of X-ray source, photoemission line shape, multiple plasmon loss function, and Gaussian broadening of the photoelectron analyzer, the proposed algorithm gives straightforward access to the bulk ELF and effective dielectric function of the solid, assuming identical ELF for intrinsic and extrinsic plasmon excitations. This method is applied to aluminum single crystal Al(002) where the photoemission line shape has been computed accurately beyond the Doniach-Sunjic approximation using the Mahan-Wertheim-Citrin approach which takes into account the density of states near the Fermi level; the only adjustable parameters are the singularity index and the broadening energy D (inverse hole lifetime). After correction for surface plasmon excitations, the q-averaged bulk loss function, q , of Al(002) differs from the optical value Im[- 1 / ɛ(E, q = 0)] and is well described by the Lindhard-Mermin dispersion relation. A quality criterion of the inversion algorithm is given by the capability of observing weak interband transitions close to the zero-loss peak, namely at 0.65 and 1.65 eV in ɛ(E, q) as found in optical spectra and ab initio calculations of aluminum.

Continuum and line spectra of degenerate dwarf X-ray sources

NASA Technical Reports Server (NTRS)

Lamb, D. Q.

1981-01-01

Recent observations of X-ray sources are summarized. Unresolved issues concerning these sources are discussed and an outline of the kinds of X-ray observations that would best advance the understanding of these sources is presented.

Photochemical conversion of tin-oxo cage compounds studied using hard x-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Zhang, Yu; Haitjema, Jarich; Liu, Xiaomeng; Johansson, Fredrik; Lindblad, Andreas; Castellanos, Sonia; Ottosson, Niklas; Brouwer, Albert M.

2017-03-01

Several metal-containing molecular inorganic materials are currently considered as photoresists for extreme ultraviolet lithography (EUVL). This is primarily due to their high EUV absorption cross section and small building block size, properties which potentially allow both high sensitivity and resolution as well as low line-edge roughness. The photochemical reaction mechanisms that allow these kinds of materials to function as photoresists, however, are still poorly understood. As a step in this direction, we here discuss photochemical reactions upon deep UV (DUV) irradiation of a model negative-tone EUV photoresist material, namely the well-defined molecular tin-oxo cage compound [(SnR)12O14(OH)6]X2 (R = organic group; X = anion) which is spin coated to thin layers of 20 nm. The core electronic structure (Sn 3d, O 1s and C 1s) of fresh and DUV exposed films were then investigated using synchrotron radiationbased hard X-ray photoelectron spectroscopy (HAXPES). This method provides information about the structure and chemical state of the respective atoms in the material. We performed a comparative HAXPES study of the composition of the tin-oxo cage compound [(SnR)12O14(OH)6](OH)2, either fresh directly after spin-coated vs. DUV-exposed materials under either ambient condition or under a dry N2 atmosphere. Different chemical oxidation states and concentrations of atoms and atom types in the fresh and exposed films were found. We further found that the chemistry resulting from exposure in air and N2 is strikingly different, clearly illustrating the influence of film-gas interactions on the (photo)chemical processes that eventually determine the photoresist. Finally, a mechanistic hypothesis for the basic DUV photoreactions in molecular tin-oxo cages is proposed.

Ultrafast X-Ray Spectroscopy of Conical Intersections

NASA Astrophysics Data System (ADS)

Neville, Simon P.; Chergui, Majed; Stolow, Albert; Schuurman, Michael S.

2018-06-01

Ongoing developments in ultrafast x-ray sources offer powerful new means of probing the complex nonadiabatically coupled structural and electronic dynamics of photoexcited molecules. These non-Born-Oppenheimer effects are governed by general electronic degeneracies termed conical intersections, which play a key role, analogous to that of a transition state, in the electronic-nuclear dynamics of excited molecules. Using high-level ab initio quantum dynamics simulations, we studied time-resolved x-ray absorption (TRXAS) and photoelectron spectroscopy (TRXPS) of the prototypical unsaturated organic chromophore, ethylene, following excitation to its S2(π π*) state. The TRXAS, in particular, is highly sensitive to all aspects of the ensuing dynamics. These x-ray spectroscopies provide a clear signature of the wave packet dynamics near conical intersections, related to charge localization effects driven by the nuclear dynamics. Given the ubiquity of charge localization in excited state dynamics, we believe that ultrafast x-ray spectroscopies offer a unique and powerful route to the direct observation of dynamics around conical intersections.

Neutron star mass and radius measurements from atmospheric model fits to X-ray burst cooling tail spectra

NASA Astrophysics Data System (ADS)

Nättilä, J.; Miller, M. C.; Steiner, A. W.; Kajava, J. J. E.; Suleimanov, V. F.; Poutanen, J.

2017-12-01

Observations of thermonuclear X-ray bursts from accreting neutron stars (NSs) in low-mass X-ray binary systems can be used to constrain NS masses and radii. Most previous work of this type has set these constraints using Planck function fits as a proxy: the models and the data are both fit with diluted blackbody functions to yield normalizations and temperatures that are then compared with each other. For the first time, we here fit atmosphere models of X-ray bursting NSs directly to the observed spectra. We present a hierarchical Bayesian fitting framework that uses current X-ray bursting NS atmosphere models with realistic opacities and relativistic exact Compton scattering kernels as a model for the surface emission. We test our approach against synthetic data and find that for data that are well described by our model, we can obtain robust radius, mass, distance, and composition measurements. We then apply our technique to Rossi X-ray Timing Explorer observations of five hard-state X-ray bursts from 4U 1702-429. Our joint fit to all five bursts shows that the theoretical atmosphere models describe the data well, but there are still some unmodeled features in the spectrum corresponding to a relative error of 1-5% of the energy flux. After marginalizing over this intrinsic scatter, we find that at 68% credibility, the circumferential radius of the NS in 4U 1702-429 is R = 12.4±0.4 km, the gravitational mass is M = 1.9±0.3 M⊙, the distance is 5.1 < D/ kpc < 6.2, and the hydrogen mass fraction is X < 0.09.

Generation of first hard X-ray pulse at Tsinghua Thomson Scattering X-ray Source.

PubMed

Du, Yingchao; Yan, Lixin; Hua, Jianfei; Du, Qiang; Zhang, Zhen; Li, Renkai; Qian, Houjun; Huang, Wenhui; Chen, Huaibi; Tang, Chuanxiang

2013-05-01

Tsinghua Thomson Scattering X-ray Source (TTX) is the first-of-its-kind dedicated hard X-ray source in China based on the Thomson scattering between a terawatt ultrashort laser and relativistic electron beams. In this paper, we report the experimental generation and characterization of the first hard X-ray pulses (51.7 keV) via head-on collision of an 800 nm laser and 46.7 MeV electron beams. The measured yield is 1.0 × 10(6) per pulse with an electron bunch charge of 200 pC and laser pulse energy of 300 mJ. The angular intensity distribution and energy spectra of the X-ray pulse are measured with an electron-multiplying charge-coupled device using a CsI scintillator and silicon attenuators. These measurements agree well with theoretical and simulation predictions. An imaging test using the X-ray pulse at the TTX is also presented.

Application of X-ray photoelectron spectroscopy to the analysis of stainless-steel welding aerosols

NASA Astrophysics Data System (ADS)

Tandon, R. K.; Payling, R.; Chenhall, B. E.; Crisp, P. T.; Ellis, J.; Baker, R. S.

1985-02-01

Aerosol particles ("fume") from manual metal arc welding of stainless steel with E316L-16 electrodes were analysed by X-ray photoelectron spectroscopy. The inherent complexity of the particles required the use of a wide range of experimental techniques. These included IR spectrophotometry, TGA/DTA, XRF, XRD, AAS and electron microprobe analysis. The surface of the fume particles comprised ≈ 50 at% NaF and KF, ≈ 8 at.% soluble (probably K) chromate, ≈ 30 at% SiO 2 and several at.% transition-metal oxides, hydroxides or silicates. The fluorides and chromates were removed by washing to reveal a surface which was predominantly SiO 2 (≈ 60 at%) with the remainder comprising of transition-metal oxides, silicates and fluorides. Approximately 6 at% F remained on the surface of the water-washed particles, presumably as transition-metal fluoro-complexes. The water-soluble fraction of the fume contained K +, Na +, F - and CrO 2-4 ions in the mole ratio 5:5:4:3. When aerosol particles are deposited in lung tissues, water-soluble constituents would be expected to dissolve rapidly. In view of the suspected carcinogenicity of stainless steel welding fume, a bio-medical study of the combined effects of F - and CrO 2-4 ions on lung tissue is warranted.

X-ray photoelectron spectroscopy for identification of morphological defects and disorders in graphene devices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aydogan, Pinar; Suzer, Sefik, E-mail: suzer@fen.bilkent.edu.tr; Polat, Emre O.

The progress in the development of graphene devices is promising, and they are now considered as an option for the current Si-based electronics. However, the structural defects in graphene may strongly influence the local electronic and mechanical characteristics. Although there are well-established analytical characterization methods to analyze the chemical and physical parameters of this material, they remain incapable of fully understanding of the morphological disorders. In this study, x-ray photoelectron spectroscopy (XPS) with an external voltage bias across the sample is used for the characterization of morphological defects in large area of a few layers graphene in a chemically specificmore » fashion. For the XPS measurements, an external +6 V bias applied between the two electrodes and areal analysis for three different elements, C1s, O1s, and Au4f, were performed. By monitoring the variations of the binding energy, the authors extract the voltage variations in the graphene layer which reveal information about the structural defects, cracks, impurities, and oxidation levels in graphene layer which are created purposely or not. Raman spectroscopy was also utilized to confirm some of the findings. This methodology the authors offer is simple but provides promising chemically specific electrical and morphological information.« less

Energy-dispersive X-ray emission spectroscopy using an X-ray free-electron laser in a shot-by-shot mode

DOE PAGES

Alonso-Mori, Roberto; Kern, Jan; Gildea, Richard J.; ...

2012-11-05

The ultrabright femtosecond X-ray pulses provided by X-ray free-electron lasers open capabilities for studying the structure and dynamics of a wide variety of systems beyond what is possible with synchrotron sources. Recently, this “probe-before-destroy” approach has been demonstrated for atomic structure determination by serial X-ray diffraction of microcrystals. There has been the question whether a similar approach can be extended to probe the local electronic structure by X-ray spectroscopy. To address this, we have carried out femtosecond X-ray emission spectroscopy (XES) at the Linac Coherent Light Source using redox-active Mn complexes. XES probes the charge and spin states as wellmore » as the ligand environment, critical for understanding the functional role of redox-active metal sites. Kβ 1,3 XES spectra of Mn II and Mn 2 III,IV complexes at room temperature were collected using a wavelength dispersive spectrometer and femtosecond X-ray pulses with an individual dose of up to >100 MGy. The spectra were found in agreement with undamaged spectra collected at low dose using synchrotron radiation. Our results demonstrate that the intact electronic structure of redox active transition metal compounds in different oxidation states can be characterized with this shot-by-shot method. This opens the door for studying the chemical dynamics of metal catalytic sites by following reactions under functional conditions. Furthermore, the technique can be combined with X-ray diffraction to simultaneously obtain the geometric structure of the overall protein and the local chemistry of active metal sites and is expected to prove valuable for understanding the mechanism of important metalloproteins, such as photosystem II.« less

Energy-dispersive X-ray emission spectroscopy using an X-ray free-electron laser in a shot-by-shot mode

PubMed Central

Alonso-Mori, Roberto; Kern, Jan; Gildea, Richard J.; Sokaras, Dimosthenis; Weng, Tsu-Chien; Lassalle-Kaiser, Benedikt; Tran, Rosalie; Hattne, Johan; Laksmono, Hartawan; Hellmich, Julia; Glöckner, Carina; Echols, Nathaniel; Sierra, Raymond G.; Schafer, Donald W.; Sellberg, Jonas; Kenney, Christopher; Herbst, Ryan; Pines, Jack; Hart, Philip; Herrmann, Sven; Grosse-Kunstleve, Ralf W.; Latimer, Matthew J.; Fry, Alan R.; Messerschmidt, Marc M.; Miahnahri, Alan; Seibert, M. Marvin; Zwart, Petrus H.; White, William E.; Adams, Paul D.; Bogan, Michael J.; Boutet, Sébastien; Williams, Garth J.; Zouni, Athina; Messinger, Johannes; Glatzel, Pieter; Sauter, Nicholas K.; Yachandra, Vittal K.; Yano, Junko; Bergmann, Uwe

2012-01-01

The ultrabright femtosecond X-ray pulses provided by X-ray free-electron lasers open capabilities for studying the structure and dynamics of a wide variety of systems beyond what is possible with synchrotron sources. Recently, this “probe-before-destroy” approach has been demonstrated for atomic structure determination by serial X-ray diffraction of microcrystals. There has been the question whether a similar approach can be extended to probe the local electronic structure by X-ray spectroscopy. To address this, we have carried out femtosecond X-ray emission spectroscopy (XES) at the Linac Coherent Light Source using redox-active Mn complexes. XES probes the charge and spin states as well as the ligand environment, critical for understanding the functional role of redox-active metal sites. Kβ1,3 XES spectra of MnII and Mn2III,IV complexes at room temperature were collected using a wavelength dispersive spectrometer and femtosecond X-ray pulses with an individual dose of up to >100 MGy. The spectra were found in agreement with undamaged spectra collected at low dose using synchrotron radiation. Our results demonstrate that the intact electronic structure of redox active transition metal compounds in different oxidation states can be characterized with this shot-by-shot method. This opens the door for studying the chemical dynamics of metal catalytic sites by following reactions under functional conditions. The technique can be combined with X-ray diffraction to simultaneously obtain the geometric structure of the overall protein and the local chemistry of active metal sites and is expected to prove valuable for understanding the mechanism of important metalloproteins, such as photosystem II. PMID:23129631

Combined use of atomic force microscopy, X-ray photoelectron spectroscopy, and secondary ion mass spectrometry for cell surface analysis.

PubMed

Dague, Etienne; Delcorte, Arnaud; Latgé, Jean-Paul; Dufrêne, Yves F

2008-04-01

Understanding the surface properties of microbial cells is a major challenge of current microbiological research and a key to efficiently exploit them in biotechnology. Here, we used three advanced surface analysis techniques with different sensitivity, probing depth, and lateral resolution, that is, in situ atomic force microscopy, X-ray photoelectron spectroscopy, and secondary ion mass spectrometry, to gain insight into the surface properties of the conidia of the human fungal pathogen Aspergillus fumigatus. We show that the native ultrastructure, surface protein and polysaccharide concentrations, and amino acid composition of three mutants affected in hydrophobin production are markedly different from those of the wild-type, thereby providing novel insight into the cell wall architecture of A. fumigatus. The results demonstrate the power of using multiple complementary techniques for probing microbial cell surfaces.

Kinetic study of GeO disproportionation into a GeO{sub 2}/Ge system using x-ray photoelectron spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang Shengkai; Department of Materials Engineering, University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656; CREST, Japan Science and Technology Agency

2012-08-06

GeO disproportionation into GeO{sub 2} and Ge is studied through x-ray photoelectron spectroscopy. Direct evidence for the reaction 2GeO {yields} GeO{sub 2} + Ge after annealing in ultra-high vacuum is presented. Activation energy for GeO disproportionation is found to be about 0.7 {+-} 0.2 eV through kinetic and thermodynamic calculations. A kinetic model of GeO disproportionation is established by considering oxygen transfer in the GeO network. The relationship between GeO disproportionation and GeO desorption induced by GeO{sub 2}/Ge interfacial reaction is discussed, and the apparent contradiction between GeO desorption via interfacial redox reaction and GeO disproportionation into Ge and GeO{submore » 2} is explained by considering the oxygen vacancy.« less

X-Ray Emission from Supernova Remnants.

NASA Astrophysics Data System (ADS)

Sackville Hamilton, Andrew James

1984-12-01

This thesis deals with the x-ray spectra of supernova remnants (SNRs), and in particular the x-ray spectra of the two young Type I SNRs SN1006 and Tycho. Firstly an extensive grid of nonequilibrium model spectra of SNRs in the adiabatic blast wave stage of evolution is computed, and numerous diagnostics of the state and composi- tion of the blast wave plasma are plotted over parameter space. It is demonstrated that the spectrum of an adiabatic blast wave is a good approximation to several other model SNR structures in which emission is dominated by gas undergoing quasi steady state ioni- zation near a shock front, including the one-fluid isothermal blast wave similarity solution, and the reverse shock similarity solution advocated by Chevalier for the early evolution of Type I SNe. None of these structures appears able to account for the observed spectra of SN1006 or Tycho. A new similarity solution for the early time evolution of uniform ejecta moving into an external medium is presented. It is argued that the x-ray spectra of SN1006 and Tycho are consistent with emission mainly from a reverse shock into 1.4M(,o) of initially uniform density SN ejecta consisting of pure heavy elements, moving into a uniform medium. Satisfactory fits to the observed spectra are obtained with a two layer structure of ejecta, an outer layer of unprocessed material, and an inner layer of mixed processed heavy elements. The structure of ejecta inferred is similar for both SN1006 and Tycho, the marked difference between the two spectra being attributed largely to the lower density of the ambient medium around SN1006. The results are consistent with the theory of Type I SNe as exploded white dwarfs, and resolve the apparent problems of too little iron, and too much total mass, deduced by other authors from earlier analyses of the x-ray emission of SN1006 and Tycho. Various salient aspects of the physics of a shock-heated pure heavy element plasma are discussed.

Effect of Space Radiation Processing on Lunar Soil Surface Chemistry: X-Ray Photoelectron Spectroscopy Studies

NASA Technical Reports Server (NTRS)

Dukes, C.; Loeffler, M.J.; Baragiola, R.; Christoffersen, R.; Keller, J.

2009-01-01

Current understanding of the chemistry and microstructure of the surfaces of lunar soil grains is dominated by a reference frame derived mainly from electron microscopy observations [e.g. 1,2]. These studies have shown that the outermost 10-100 nm of grain surfaces in mature lunar soil finest fractions have been modified by the combined effects of solar wind exposure, surface deposition of vapors and accretion of impact melt products [1,2]. These processes produce surface-correlated nanophase Feo, host grain amorphization, formation of surface patinas and other complex changes [1,2]. What is less well understood is how these changes are reflected directly at the surface, defined as the outermost 1-5 atomic monolayers, a region not easily chemically characterized by TEM. We are currently employing X-ray Photoelectron Spectroscopy (XPS) to study the surface chemistry of lunar soil samples that have been previously studied by TEM. This work includes modification of the grain surfaces by in situ irradiation with ions at solar wind energies to better understand how irradiated surfaces in lunar grains change their chemistry once exposed to ambient conditions on earth.

X-ray transmission microscope development

NASA Astrophysics Data System (ADS)

Kaukler, William F.; Rosenberger, Franz E.

1995-08-01

This report covers the third 6 month period, from February 28, 1995 to August 31, 1995, under this contract. The main efforts during this period were the construction of the X-ray furnace, evaluation and selection of the CCD technology for the X-ray camera, solidification experiments with Al alloys and Al-zirconia composites in the prototype furnace, evaluation of specimens for the particle pushing flight experiment - PEPSI, measurements of emitted spectra from X-ray source, testing of the high resolution X-ray test targets, and the establishment of criteria for and selection of peripheral equipment. In addition to these tasks, two presentations were prepared in this period; one for the AIAA Microgravity Symposium and another for the Gordon Conference on Gravitational Effects in Pyisico-Chemical Systems.

X-ray transmission microscope development

NASA Technical Reports Server (NTRS)

Kaukler, William F.; Rosenberger, Franz E.

1995-01-01

This report covers the third 6 month period, from February 28, 1995 to August 31, 1995, under this contract. The main efforts during this period were the construction of the X-ray furnace, evaluation and selection of the CCD technology for the X-ray camera, solidification experiments with Al alloys and Al-zirconia composites in the prototype furnace, evaluation of specimens for the particle pushing flight experiment - PEPSI, measurements of emitted spectra from X-ray source, testing of the high resolution X-ray test targets, and the establishment of criteria for and selection of peripheral equipment. In addition to these tasks, two presentations were prepared in this period; one for the AIAA Microgravity Symposium and another for the Gordon Conference on Gravitational Effects in Pyisico-Chemical Systems.

Low energy X-ray spectra measured with a mercuric iodide energy dispersive spectrometer in a scanning electron microscope

NASA Technical Reports Server (NTRS)

Iwanczyk, J. S.; Dabrowski, A. J.; Huth, G. C.; Bradley, J. G.; Conley, J. M.

1986-01-01

A mercuric iodide energy dispersive X-ray spectrometer, with Peltier cooling provided for the detector and input field effect transistor, has been developed and tested in a scanning electron microscope. X-ray spectra were obtained with the 15 keV electron beam. An energy resolution of 225 eV (FWHM) for Mn-K(alpha) at 5.9 keV and 195 eV (FWHM) for the Mg-K line at 1.25 keV has been measured. Overall system noise level was 175 eV (FWHM). The detector system characterization with a carbon target demonstrated good energy sensitivity at low energies and lack of significant spectral artifacts at higher energies.

Vibrationally resolved photoelectron spectra of lower diamondoids: A time-dependent approach

NASA Astrophysics Data System (ADS)

Xiong, Tao; Włodarczyk, Radosław; Gallandi, Lukas; Körzdörfer, Thomas; Saalfrank, Peter

2018-01-01

Vibrationally resolved lowest-energy bands of the photoelectron spectra (PES) of adamantane, diamantane, and urotropine were simulated by a time-dependent correlation function approach within the harmonic approximation. Geometries and normal modes for neutral and cationic molecules were obtained from B3LYP hybrid density functional theory (DFT). It is shown that the simulated spectra reproduce the experimentally observed vibrational finestructure (or its absence) quite well. Origins of the finestructure are discussed and related to recurrences of autocorrelation functions and dominant vibrations. Remaining quantitative and qualitative errors of the DFT-derived PES spectra refer to (i) an overall redshift by ˜0.5 eV and (ii) the absence of satellites in the high-energy region of the spectra. The former error is shown to be due to the neglect of many-body corrections to ordinary Kohn-Sham methods, while the latter has been argued to be due to electron-nuclear couplings beyond the Born-Oppenheimer approximation [Gali et al., Nat. Commun. 7, 11327 (2016)].

Soft X-Ray Observations of a Complete Sample of X-Ray--selected BL Lacertae Objects

NASA Astrophysics Data System (ADS)

Perlman, Eric S.; Stocke, John T.; Wang, Q. Daniel; Morris, Simon L.

1996-01-01

We present the results of ROSAT PSPC observations of the X-ray selected BL Lacertae objects (XBLs) in the complete Einstein Extended Medium Sensitivity Survey (EM MS) sample. None of the objects is resolved in their respective PSPC images, but all are easily detected. All BL Lac objects in this sample are well-fitted by single power laws. Their X-ray spectra exhibit a variety of spectral slopes, with best-fit energy power-law spectral indices between α = 0.5-2.3. The PSPC spectra of this sample are slightly steeper than those typical of flat ratio-spectrum quasars. Because almost all of the individual PSPC spectral indices are equal to or slightly steeper than the overall optical to X-ray spectral indices for these same objects, we infer that BL Lac soft X-ray continua are dominated by steep-spectrum synchrotron radiation from a broad X-ray jet, rather than flat-spectrum inverse Compton radiation linked to the narrower radio/millimeter jet. The softness of the X-ray spectra of these XBLs revives the possibility proposed by Guilbert, Fabian, & McCray (1983) that BL Lac objects are lineless because the circumnuclear gas cannot be heated sufficiently to permit two stable gas phases, the cooler of which would comprise the broad emission-line clouds. Because unified schemes predict that hard self-Compton radiation is beamed only into a small solid angle in BL Lac objects, the steep-spectrum synchrotron tail controls the temperature of the circumnuclear gas at r ≤ 1018 cm and prevents broad-line cloud formation. We use these new ROSAT data to recalculate the X-ray luminosity function and cosmological evolution of the complete EMSS sample by determining accurate K-corrections for the sample and estimating the effects of variability and the possibility of incompleteness in the sample. Our analysis confirms that XBLs are evolving "negatively," opposite in sense to quasars, with Ve/Va = 0.331±0.060. The statistically significant difference between the values for

Surface study of stainless steel electrode deposition from soil electrokinetic (EK) treatment using X-ray photoelectron spectroscopy (XPS)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Embong, Zaidi, E-mail: zaidi@uthm.edu.my; Research Centre for Soft Soils; Johar, Saffuwan

2015-04-29

Electrokinetic (EK) remediation relies upon application of a low-intensity direct current through the soil between stainless steel electrodes that are divided into a cathode array and an anode array. This mobilizes charged species, causing ions and water to move toward the electrodes. Metal ions and positively charged organic compounds move toward the cathode. Anions such as chloride, fluoride, nitrate, and negatively charged organic compounds move toward the anode. Here, this remediation techniques lead to a formation of a deposition at the both cathode and anode surface that mainly contributed byanion and cation from the remediated soil. In this research, Renggam-Jerangaumore » soil species (HaplicAcrisol + RhodicFerralsol) with a surveymeter reading of 38.0 ± 3.9 μR/hr has been investigation in order to study the mobility of the anion and cation under the influence electric field. Prior to the EK treatment, the elemental composition of the soil and the stainless steel electrode are measured using XRF analyses. Next, the soil sample is remediated at a constant electric potential of 30 V within an hour of treatment period. A surface study for the deposition layer of the cathode and anode using X-ray Photoelectron spectroscopy (XPS) revealed that a narrow photoelectron signal from oxygen O 1s, carbon, C 1s silica, Si 2p, aluminium, Al 2p and chromium, Cr 2p exhibited on the electrode surface and indicate that a different in photoelectron intensity for each element on both electrode surface. In this paper, the mechanism of Si{sup 2+} and Al{sup 2+} cation mobility under the influence of voltage potential between the cathode and anode will be discussed in detail.« less

X-Ray Spectra of Quasars from the ROSAT Public Archive

NASA Technical Reports Server (NTRS)

Elvis, Martin S.; West, Donald (Technical Monitor)

2000-01-01

This has been a most productive proposal. We have: (1) Found many new X-ray absorbed quasars at z>2; (2) Determined that all of these are radio-loud, favoring an intrinsic origin for the absorption; (3) Found that the one radio-quiet exception lay close to a nearby galaxy, so initiating the X-ray study of the ISM of normal galaxies via X-ray spectroscopy; (4) Discovered a class of 'red quasars', probably the tip of a large obscured population; and (5) Discovered a class of 'blank field X-ray sources'. These are a heterogeneous collection but probably include several peculiar types of active galactic nuclei (AGN). Follow-up of the 'blanks' is being undertaken under a separate ADP program. Chandra and XMM-Newton observing time for these objects has been approved. This program has produced six refereed papers and six published conference proceedings.

Investigation of electronic structure of tri- and tetranuclear molybdenum clusters by X-ray photoelectron and emission spectroscopies and quantum chemical methods

NASA Astrophysics Data System (ADS)

Kryuchkova, Natalya A.; Syrokvashin, Mikhail M.; Gushchin, Artem L.; Korotaev, Evgeniy V.; Kalinkin, Alexander V.; Laricheva, Yuliya A.; Sokolov, Maxim N.

2018-02-01

Charge state studies of compounds [Mo3S4(tu)8(H2O)]Cl4·4H2O (1), [Mo3S4Cl3(dbbpy)3]Cl·5H2O (2), [Mo3S4(CuCl)Cl3(dbbpy)3][CuCl2] (3), containing {Mo3S4}4+ and {Mo3CuS4}5+ cluster cores bearing terminal thiourea (tu) or 4,4‧-di-tert-butyl-2,2‧-bipyridine (dbbpy) ligands, have been performed by X-ray photoelectron and X-ray emission spectroscopies combined with quantum chemical calculations. The best agreement between theory and experiments has been obtained using the B3LYP method. According to the experimental and calculated data, the Mo atoms are in the oxidation state 4+ for all compounds. The energies and shapes of the Cu2p lines indicate formal oxidation states of Cu as 1+. The coordination of Cu(I) to the cluster {Mo3S4} in 3 does not lead to significant changes in the charge state of the molybdenum atoms and the {Mo3S4} unit can be considered as a tridentate metallothia crown ether.

X-ray Spectra and Pulse Frequency Changes in SAX J2103.5+4545

NASA Technical Reports Server (NTRS)

Baykal, A.; Stark, M. J.; Swank, J. H.; White, Nicholas E. (Technical Monitor)

2002-01-01

The November 1999 outburst of the transient pulsar SAX J2103.5+4545 was monitored with the large area detectors of the Rossi X-Ray Timing Explorer until the pulsar faded after a year. The 358 s pulsar was spun up for 150 days, at which point the flux dropped quickly by a factor of approximately 7, the frequency saturated and, as the flux continued to decline, a weak spin-down began. The pulses remained strong during the decay and the spin-up/flux correlation can be fit to the Ghosh and Lamb derivations for the spin-up caused by accretion from a thin, pressure-dominated disk, for a distance approximately 3.2 kpc and a surface magnetic field approximately 1.2 x 10(exp 13) Gauss. During the bright spin-up part of the outburst, the flux was subject to strong orbital modulation, peaking approximately 3 days after periastron of the eccentric 12.68 day orbit, while during the faint part, there was little orbital modulation. The X-ray spectra were typical of accreting pulsars, describable by a cut-off power-law, with an emission line near the 6.4 keV of Kappa(sub alpha) fluorescence from cool iron. The equivalent width of this emission did not share the orbital modulation, but nearly doubled during the faint phase, despite little change in the column density. The outburst could have been caused by an episode of increased wind from a Be star, such that a small accretion disk is formed during each periastron passage. A change in the wind and disk structure apparently occurred after 5 months such that the accretion rate was no longer modulated or the diffusion time was longer. The distance estimate implies the X-ray luminosity observed was between 1 X 10(exp 36) ergs s(exp -1) and 6 x 10(exp 34) ergs s(exp -1), with a small but definite correlation of the intrinsic power-law spectral index.

NuSTAR Hard X-Ray Survey of the Galactic Center Region. II. X-Ray Point Sources

NASA Technical Reports Server (NTRS)

Hong, Jaesub; Mori, Kaya; Hailey, Charles J.; Nynka, Melania; Zhang, Shou; Gotthelf, Eric; Fornasini, Francesca M.; Krivonos, Roman; Bauer, Franz; Perez, Kerstin;

Transition metal atomic multiplets in the ligand K-edge x-ray absorption spectra and multiple oxidation states in the L2,3 emission of strongly correlated compounds

NASA Astrophysics Data System (ADS)

Jiménez-Mier, J.; Olalde-Velasco, P.; Yang, W.-L.; Denlinger, J.

2014-07-01

We present results that show that atomic multiplet ligand field calculations are in very good agreement with experimental x-ray absorption spectra at the L2,3 edge of transition metal (TM) di-fluorides (MF2, MCrCu). For chromium more than one TM oxidation state is needed to achieve such an agreement. We also show that signature of the TM atomic multiplet can be found at the pre-edge of the fluorine K-edge x-ray absorption spectra. TM atomic multiplet ligand field calculations with a structureless core hole show good agreement with the observed pre-edges in the experimental fluorine absorption spectra. Preliminary results for the comparison between calculated and experimental resonant x-ray emission spectra for nominal CrF2 with more than one oxidation state indicate the presence of three chromium oxidation states in the bulk.

Direct evaluation of electrical dipole moment and oxygen density ratio at high-k dielectrics/SiO2 interface by X-ray photoelectron spectroscopy analysis

NASA Astrophysics Data System (ADS)

Fujimura, Nobuyuki; Ohta, Akio; Ikeda, Mitsuhisa; Makihara, Katsunori; Miyazaki, Seiichi

2018-04-01

The electrical dipole moment at an ultrathin high-k (HfO2, Al2O3, TiO2, Y2O3, and SrO)/SiO2 interface and its correlation with the oxygen density ratio at the interface have been directly evaluated by X-ray photoelectron spectroscopy (XPS) under monochromatized Al Kα radiation. The electrical dipole moment at the high-k/SiO2 interface has been measured from the change in the cut-off energy of secondary photoelectrons. Moreover, the oxygen density ratio at the interface between high-k and SiO2 has been estimated from cation core-line signals, such as Hf 4f, Al 2p, Y 3d, Ti 2p, Sr 3d, and Si 2p. We have experimentally clarified the relationship between the measured electrical dipole moment and the oxygen density ratio at the high-k/SiO2 interface.

Singularities in x-ray spectra of metals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mahan, G.D.

1987-08-01

The x-ray spectroscopies discussed are absorption, emission, and photoemission. The singularities show up in each of them in a different manner. In absorption and emission they show up as power law singularities at the thresholds frequencies. This review will emphasize two themes. First a simple model is proposed to describe this phenomena, which is now called the MND model after MAHAN-NOZIERES-DeDOMINICIS. Exact analytical solutions are now available for this model for the three spectroscopies discussed above. These analytical models can be evaluated numerically in a simple way. The second theme of this review is that great care must be usedmore » when comparing the theory to experiment. A number of factors influence the edge shapes in x-ray spectroscopy. The edge singularities play an important role, and are observed in many matals. Quantitative fits of the theory to experiment require the consideration of other factors. 51 refs.« less

Band alignment of TiO{sub 2}/FTO interface determined by X-ray photoelectron spectroscopy: Effect of annealing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fan, Haibo, E-mail: hbfan@nwu.edu.cn, E-mail: liusz@snnu.edu.cn; School of Physics, Northwest University, Xi’an 710069; Yang, Zhou

2016-01-15

The energy band alignment between pulsed-laser-deposited TiO{sub 2} and FTO was firstly characterized using high-resolution X-ray photoelectron spectroscopy. A valence band offset (VBO) of 0.61 eV and a conduction band offset (CBO) of 0.29 eV were obtained across the TiO{sub 2}/FTO heterointerface. With annealing process, the VBO and CBO across the heterointerface were found to be -0.16 eV and 1.06 eV, respectively, with the alignment transforming from type-I to type-II. The difference in the band alignment is believed to be dominated by the core level down-shift of the FTO substrate, which is a result of the oxidation of Sn. Current-voltagemore » test has verified that the band alignment has a significant effect on the current transport of the heterojunction.« less

X-ray photoelectron spectroscopy and friction studies of nickel-zinc and manganese-zinc ferrites in contact with metals

NASA Technical Reports Server (NTRS)

Miyoshi, K.; Buckley, D. H.

1983-01-01

X-ray photoelectron spectroscopy analysis and sliding friction experiments were conducted with hot-pressed, polycrystalline Ni-Zn and Mn-Zn ferrites in sliding contact with various transition metals at room temperature in a vacuum of 30 nPa. The results indicate that the coefficients of friction for Ni-Zn and Mn-Zn ferrites in contact with metals are related to the relative chemical activity in these metals: the more active the metal, the higher is the coefficient of friction. The coefficients of friction for the ferrites correlate with the free energy of formation of the lowest metal oxide. The interfacial bond can be regarded as a chemical bond between the metal atoms and the oxygen anions in the ferrite surfaces. The adsorption of oxygen on clean metal and ferrite surfaces increases the coefficients of friction for the Ni-Zn and Mn-Zn ferrite-metal interfaces.

An Electrochemical, Microtopographical and Ambient Pressure X-Ray Photoelectron Spectroscopic Investigation of Si/TiO 2/Ni/Electrolyte Interfaces

DOE PAGES

Lichterman, Michael F.; Richter, Matthias H.; Hu, Shu; ...

2015-12-05

The electrical and spectroscopic properties of the TiO 2/Ni protection layer system, which enables stabilization of otherwise corroding photoanodes, have been investigated in contact with electrolyte solutions by scanning-probe microscopy, electrochemistry and in-situ ambient pressure X-ray photoelectron spectroscopy (AP-XPS). Specifically, the energy-band relations of the p +-Si/ALD-TiO 2/Ni interface have been determined for a selected range of Ni thicknesses. AP-XPS measurements using tender X-rays were performed in a three-electrode electrochemical arrangement under potentiostatic control to obtain information from the semiconductor near-surface region, the electrochemical double layer (ECDL) and the electrolyte beyond the ECDL. The degree of conductivity depended on themore » chemical state of the Ni on the TiO 2 surface. At low loadings of Ni, the Ni was present primarily as an oxide layer and the samples were not conductive, although the TiO 2 XPS core levels nonetheless displayed behavior indicative of a metal-electrolyte junction. In contrast, as the Ni thickness increased, the Ni phase was primarily metallic and the electrochemical behavior became highly conductive, with the AP-XPS data indicative of a metal-electrolyte junction. Electrochemical and microtopographical methods have been employed to better define the nature of the TiO 2/Ni electrodes and to contextualize the AP-XPS results.« less

Measuring Quasar Spin via X-ray Continuum Fitting

NASA Astrophysics Data System (ADS)

Jenkins, Matthew; Pooley, David; Rappaport, Saul; Steiner, Jack

2018-01-01

We have identified several quasars whose X-ray spectra appear very soft. When fit with power-law models, the best-fit indices are greater than 3. This is very suggestive of thermal disk emission, indicating that the X-ray spectrum is dominated by the disk component. Galactic black hole binaries in such states have been successfully fit with disk-blackbody models to constrain the inner radius, which also constrains the spin of the black hole. We have fit those models to XMM-Newton spectra of several of our identified soft X-ray quasars to place constraints on the spins of the supermassive black holes.

Unidentified line in x-ray spectra of the Andromeda galaxy and Perseus galaxy cluster.

PubMed

Boyarsky, A; Ruchayskiy, O; Iakubovskyi, D; Franse, J

2014-12-19

We report a weak line at 3.52±0.02  keV in x-ray spectra of the Andromeda galaxy and the Perseus galaxy cluster observed by the metal-oxide-silicon (MOS) and p-n (PN) CCD cameras of the XMM-Newton telescope. This line is not known as an atomic line in the spectra of galaxies or clusters. It becomes stronger towards the centers of the objects; is stronger for Perseus than for M31; is absent in the spectrum of a deep "blank sky" data set. Although for each object it is hard to exclude that the feature is due to an instrumental effect or an atomic line, it is consistent with the behavior of a dark matter decay line. Future (non-)detections of this line in multiple objects may help to reveal its nature.

Disentangling atomic-layer-specific x-ray absorption spectra by Auger electron diffraction spectroscopy

NASA Astrophysics Data System (ADS)

Matsui, Fumihiko; Matsushita, Tomohiro; Kato, Yukako; Hashimoto, Mie; Daimon, Hiroshi

2009-11-01

In order to investigate the electronic and magnetic structures of each atomic layer at subsurface, we have proposed a new method, Auger electron diffraction spectroscopy, which is the combination of x-ray absorption spectroscopy (XAS) and Auger electron diffraction (AED) techniques. We have measured a series of Ni LMM AED patterns of the Ni film grown on Cu(001) surface for various thicknesses. Then we deduced a set of atomic-layer-specific AED patterns in a numerical way. Furthermore, we developed an algorithm to disentangle XANES spectra from different atomic layers using these atomic-layer-specific AED patterns. Surface and subsurface core level shift were determined for each atomic layer.

Efficient simultaneous reverse Monte Carlo modeling of pair-distribution functions and extended x-ray-absorption fine structure spectra of crystalline disordered materials.

PubMed

Németh, Károly; Chapman, Karena W; Balasubramanian, Mahalingam; Shyam, Badri; Chupas, Peter J; Heald, Steve M; Newville, Matt; Klingler, Robert J; Winans, Randall E; Almer, Jonathan D; Sandi, Giselle; Srajer, George

2012-02-21

An efficient implementation of simultaneous reverse Monte Carlo (RMC) modeling of pair distribution function (PDF) and EXAFS spectra is reported. This implementation is an extension of the technique established by Krayzman et al. [J. Appl. Cryst. 42, 867 (2009)] in the sense that it enables simultaneous real-space fitting of x-ray PDF with accurate treatment of Q-dependence of the scattering cross-sections and EXAFS with multiple photoelectron scattering included. The extension also allows for atom swaps during EXAFS fits thereby enabling modeling the effects of chemical disorder, such as migrating atoms and vacancies. Significant acceleration of EXAFS computation is achieved via discretization of effective path lengths and subsequent reduction of operation counts. The validity and accuracy of the approach is illustrated on small atomic clusters and on 5500-9000 atom models of bcc-Fe and α-Fe(2)O(3). The accuracy gains of combined simultaneous EXAFS and PDF fits are pointed out against PDF-only and EXAFS-only RMC fits. Our modeling approach may be widely used in PDF and EXAFS based investigations of disordered materials. © 2012 American Institute of Physics

Accurate determination of the valence band edge in hard x-ray photoemission spectra using GW theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lischner, Johannes, E-mail: jlischner597@gmail.com; Department of Physics and Department of Materials and the Thomas Young Centre for Theory and Simulation of Materials, Imperial College London, London SW7 2AZ; Nemšák, Slavomír

We introduce a new method for determining accurate values of the valence-band maximum in x-ray photoemission spectra. Specifically, we align the sharpest peak in the valence-band region of the experimental spectrum with the corresponding feature of a theoretical valence-band density of states curve from ab initio GW theory calculations. This method is particularly useful for soft and hard x-ray photoemission studies of materials with a mixture of valence-band characters, where strong matrix element effects can render standard methods for extracting the valence-band maximum unreliable. We apply our method to hydrogen-terminated boron-doped diamond, which is a promising substrate material for novelmore » solar cell devices. By carrying out photoemission experiments with variable light polarizations, we verify the accuracy of our analysis and the general validity of the method.« less

X-Rays form the Vela-Puppis Complex

NASA Technical Reports Server (NTRS)

Bunner, A. N.

1971-01-01

A review of X-ray observations in the vicinity of the Gum nebula is presented. There is little doubt that the filamentary nebula Stromlo 16, the radio source Vela X, and the extended X-ray object Vel XR-2 are indications of the same, relatively nearby, supernova remnant. X-ray absorption measurements are consistent with a distance of 500 + or - 100 pc. The observed X-ray spectra have not yet distinguished between thermal bremsstrahlung and synchrotron radiation as the source mechanism. A search for low energy X-ray emission lines, both within the 5 deg diameter remnant and in the larger Gum nebula, may provide an important test for models of supernova remnant evolution.

A Restricted Open Configuration Interaction with Singles Method To Calculate Valence-to-Core Resonant X-ray Emission Spectra: A Case Study

PubMed Central

2017-01-01

In this work, a new protocol for the calculation of valence-to-core resonant X-ray emission (VtC RXES) spectra is introduced. The approach is based on the previously developed restricted open configuration interaction with singles (ROCIS) method and its parametrized version, based on a ground-state Kohn–Sham determinant (DFT/ROCIS) method. The ROCIS approach has the following features: (1) In the first step approximation, many-particle eigenstates are calculated in which the total spin is retained as a good quantum number. (2) The ground state with total spin S and excited states with spin S′ = S, S ± 1, are obtained. (3) These states have a qualitatively correct multiplet structure. (4) Quasi-degenerate perturbation theory is used to treat the spin–orbit coupling operator variationally at the many-particle level. (5) Transition moments are obtained between the relativistic many-particle states. The method has shown great potential in the field of X-ray spectroscopy, in particular in the field of transition-metal L-edge, which cannot be described correctly with particle–hole theories. In this work, the method is extended to the calculation of resonant VtC RXES [alternatively referred to as 1s-VtC resonant inelastic X-ray scattering (RIXS)] spectra. The complete Kramers–Dirac–Heisenerg equation is taken into account. Thus, state interference effects are treated naturally within this protocol. As a first application of this protocol, a computational study on the previously reported VtC RXES plane on a molecular managanese(V) complex is performed. Starting from conventional X-ray absorption spectra (XAS), we present a systematic study that involves calculations and electronic structure analysis of both the XAS and non-resonant and resonant VtC XES spectra. The very good agreement between theory and experiment, observed in all cases, allows us to unravel the complicated intensity mechanism of these spectroscopic techniques as a synergic function of state

An MCNP-based model of a medical linear accelerator x-ray photon beam.

PubMed

Ajaj, F A; Ghassal, N M

2003-09-01

The major components in the x-ray photon beam path of the treatment head of the VARIAN Clinac 2300 EX medical linear accelerator were modeled and simulated using the Monte Carlo N-Particle radiation transport computer code (MCNP). Simulated components include x-ray target, primary conical collimator, x-ray beam flattening filter and secondary collimators. X-ray photon energy spectra and angular distributions were calculated using the model. The x-ray beam emerging from the secondary collimators were scored by considering the total x-ray spectra from the target as the source of x-rays at the target position. The depth dose distribution and dose profiles at different depths and field sizes have been calculated at a nominal operating potential of 6 MV and found to be within acceptable limits. It is concluded that accurate specification of the component dimensions, composition and nominal accelerating potential gives a good assessment of the x-ray energy spectra.

Insight into ethylene interactions with molybdenum suboxide cluster anions from photoelectron spectra of chemifragments

NASA Astrophysics Data System (ADS)

Schaugaard, Richard N.; Topolski, Josey E.; Ray, Manisha; Raghavachari, Krishnan; Jarrold, Caroline Chick

2018-02-01

Recent studies on reactions between MoxOy- cluster anions and H2O/C2H4 mixtures revealed a complex web of addition, hydrogen evolution, and chemifragmentation reactions, with chemifragments unambiguously connected to cluster reactions with C2H4. To gain insight into the molecular-scale interactions along the chemifragmentation pathways, the anion photoelectron (PE) spectra of MoC2H2-, MoC4H4-, MoOC2H2-, and MoO2C2H2- formed directly in MoxOy- + C2H4 (x > 1; y ≥ x) reactions, along with supporting CCSD(T) and density functional theory calculations, are presented and analyzed. The complexes have spectra that are all consistent with η2-acetylene complexes, though for all but MoC4H4-, the possibility that vinylidene complexes are also present cannot be definitively ruled out. Structures that are consistent with the PE spectrum of MoC2H2- differ from the lowest energy structure, suggesting that the fragment formation is under kinetic control. The PE spectrum of MoO2C2H2- additionally exhibits evidence that photodissociation to MoO2- + C2H2 may be occurring. The results suggest that oxidative dehydrogenation of ethylene is initiated by Lewis acid/base interactions between the Mo centers in larger clusters and the π orbitals in ethylene.

X-ray diagnostics of massive star winds

NASA Astrophysics Data System (ADS)

Oskinova, L. M.; Ignace, R.; Huenemoerder, D. P.

2017-11-01

Observations with powerful X-ray telescopes, such as XMM-Newton and Chandra, significantly advance our understanding of massive stars. Nearly all early-type stars are X-ray sources. Studies of their X-ray emission provide important diagnostics of stellar winds. High-resolution X-ray spectra of O-type stars are well explained when stellar wind clumping is taking into account, providing further support to a modern picture of stellar winds as non-stationary, inhomogeneous outflows. X-ray variability is detected from such winds, on time scales likely associated with stellar rotation. High-resolution X-ray spectroscopy indicates that the winds of late O-type stars are predominantly in a hot phase. Consequently, X-rays provide the best observational window to study these winds. X-ray spectroscopy of evolved, Wolf-Rayet type, stars allows to probe their powerful metal enhanced winds, while the mechanisms responsible for the X-ray emission of these stars are not yet understood.

Improved DQE by means of X-ray spectra and scintillator optimization for FFDM

NASA Astrophysics Data System (ADS)

Job, Isaias D.; Taie-Nobraie, Nima; Colbeth, Richard E.; Mollov, Ivan; Gray, Keith D.; Webb, Chris; Pavkovich, John M.; Zoghi, Fred; Tognina, Carlo A.; Roos, Pieter G.

2012-03-01

The focus of this work was to improve the DQE performance of a full-field digital mammography (FFDM) system by means of selecting an optimal X-ray tube anode-filter combination in conjunction with an optimal scintillator configuration. The flat panel detector in this work is a Varian PaxScan 3024M. The detector technology is comprised of a 2816 row × 3584 column amorphous silicon (a-Si) photodiode array with a pixel pitch of 83μm. The scintillator is cesium iodide and is deposited directly onto the photodiode array and available with configurable optical and x-ray properties. Two X-ray beam spectra were generated with the anode/filter combinations, Molybdenum/Molybdenum (Mo/Mo) and Tungsten/Aluminum (W/Al), to evaluate the imaging performance of two types of scintillators, high resolution (HR) type and high light output (HL) type. The results for the HR scintillator with W/Al anode-filter (HRW/ Al) yielded a DQE(0) of 67%, while HR-Mo/Mo was lower with a DQE(0) of 50%. In addition, the DQE(0) of the HR-W/Al configuration was comparable to the DQE(0) of the HL-Mo/Mo configuration. The significance of this result is the HR type scintillator yields about twice the light output with the W/Al spectrum, at about half the dose, as compared to the Mo/Mo spectrum. The light output or sensitivity was measured in analog-to-digital convertor units (ADU) per dose. The sensitivities (ADU/uGy) were 8.6, 16.8 and 25.4 for HR-Mo/Mo, HR-W/Al, HL-Mo/Mo, respectively. The Nyquist frequency for the 83 μm pixel is 6 lp/mm. The MTF at 5 lp/mm for HR-Mo/Mo and HR-W/Al were equivalent at 37%, while the HL-Mo/Mo MTF was 24%. According to the DQE metric, the more favorable anodefilter combination was W/Al with the HR scintillator. Future testing will evaluate the HL-W/Al configuration, as well as other x-ray filters materials and other scintillator optimizations. While higher DQE values were achieved, the more general conclusion is that the imaging performance can be tuned as required by

Accuracy of Mass and Radius Determination for Neutron Stars in X-ray Bursters from Simulated LOFT Spectra

NASA Astrophysics Data System (ADS)

Majczyna, A.; Madej, J.; Różańska, A.; Należyty, M.

2017-06-01

We present a simulation of an X-ray spectrum of a hot neutron star, as would be seen by the LAD detector on board of LOFT satellite. We also compute a grid of theoretical spectra corresponding to a range of effective temperatures Teff and surface gravities log g with values corresponding to compact stars in Type I X-ray bursters. A neutron star with the mass M=1.64 M⊙ and the radius R=11.95 km (which yields the surface gravity log g=14.30 [cgs] and the surface redshift z=0.30) is used in simulation. Accuracy of mass and radius determination by fitting theoretical spectra to the observed one is found to be M=1.64+0.16-0.02 M⊙ and R=11.95+1.57-0.40 km (2σ). The confidence contours for these two variables are narrow but elongated, and therefore the resulting constraints on the EOS cannot be strong. Note, that in this paper we aim to discuss error contours of NS mass and radius, whereas discussion of EOS is beyond the scope of this work.

Imprints of the Molecular Electronic Structure in the Photoelectron Spectra of Strong-Field Ionized Asymmetric Triatomic Model Molecules

NASA Astrophysics Data System (ADS)

Paul, Matthias; Yue, Lun; Gräfe, Stefanie

2018-06-01

We examine the circular dichroism in the angular distribution of photoelectrons of triatomic model systems ionized by strong-field ionization. Following our recent work on this effect [Paul, Yue, and Gräfe, J. Mod. Opt. 64, 1104 (2017), 10.1080/09500340.2017.1299883], we demonstrate how the symmetry and electronic structure of the system is imprinted into the photoelectron momentum distribution. We use classical trajectories to reveal the origin of the threefolded pattern in the photoelectron momentum distribution, and show how an asymmetric nuclear configuration of the triatomic system effects the photoelectron spectra.

Studies of cluster X-ray sources, energy spectra for the Perseus, Virgo, and Coma clusters

NASA Technical Reports Server (NTRS)

Kellogg, E.; Baldwin, J. R.; Koch, D.

1975-01-01

Final Uhuru X-ray differential-energy spectra are presented for the Perseus, Virgo, and Coma clusters. Power-law and isothermal bremsstrahlung model spectra with low-energy cutoffs are given, and the energy-dependent Gaunt factor is calculated for the bremsstrahlung. The spectra, which are best fits to the Uhuru data between 2 and 10 keV, are compared with previous observations of these sources in the energy range from 0.1 to 100 keV. The problem of parameter estimation is discussed, error bars with 68% confidence are given for the independently determined slope and cutoff parameters, and the 68% confidence limits are plotted for the fitted spectral functions. The data for Perseus above 20 keV marginally favor the bremsstrahlung fit, those for Virgo between 0.25 and 1.0 keV clearly favor that curve, and those for Coma indicate a low-energy turnover or cutoff. Implications of such a cutoff are briefly discussed.

X-Ray Spectral Diagnostics of Gamma-Ray Burst Environments.

PubMed

Paerels; Kuulkers; Heise; Liedahl

2000-05-20

Recently, detection of discrete features in the X-ray afterglow spectra of GRB 970508 and GRB 970828 was reported. The most natural interpretation of these features is that they are redshifted Fe K emission complexes. The identification of the line emission mechanism has drastic implications for the inferred mass of radiating material and hence the nature of the burst site. X-ray spectroscopy provides a direct observational constraint on these properties of gamma-ray bursters. We briefly discuss how these constraints arise in the context of an application to the spectrum of GRB 970508.

X-ray Reflected Spectra from Accretion Disk Models. III. A Complete Grid of Ionized Reflection Calculations

NASA Technical Reports Server (NTRS)

Garcia, J.; Dauser, T.; Reynolds, C. S.; Kallman, T. R.; McClintock, J. E.; Wilms, J.; Ekmann, W.

2013-01-01

We present a new and complete library of synthetic spectra for modeling the component of emission that is reflected from an illuminated accretion disk. The spectra were computed using an updated version of our code xillver that incorporates new routines and a richer atomic data base. We offer in the form of a table model an extensive grid of reflection models that cover a wide range of parameters. Each individual model is characterized by the photon index Gamma of the illuminating radiation, the ionization parameter zeta at the surface of the disk (i.e., the ratio of the X-ray flux to the gas density), and the iron abundance A(sub Fe) relative to the solar value. The ranges of the parameters covered are: 1.2 <= Gamma <= 3.4, 1 <= zeta <= 104, and 0.5 <= A(sub Fe) <= 10. These ranges capture the physical conditions typically inferred from observations of active galactic nuclei, and also stellar-mass black holes in the hard state. This library is intended for use when the thermal disk flux is faint compared to the incident power-law flux. The models are expected to provide an accurate description of the Fe K emission line, which is the crucial spectral feature used to measure black hole spin. A total of 720 reflection spectra are provided in a single FITS file suitable for the analysis of X-ray observations via the atable model in xspec. Detailed comparisons with previous reflection models illustrate the improvements incorporated in this version of xillver.

X-ray properties of quasars

NASA Technical Reports Server (NTRS)

Ku, W. H.-M.; Helfand, D. J.; Lucy, L. B.

1980-01-01

The X-ray properties of 111 catalogued quasars have been examined with the imaging proportional counter on board the Einstein Observatory. Thirty-five of the objects, of redshift between 0.064 and 3.53, were detected as X-ray sources. The 0.5-4.5-keV X-ray properties of these quasars are correlated with their optical and radio continuum properties and with their redshifts and variability characteristics. The X-ray luminosity of quasars tends to be highest for those objects which are bright in the optical and radio regimes and which exhibit optically violent variability. These observations suggest that quasars should be divided into two classes on the basis of radio luminosities, spectra, evolution and underlying morphology and that quasars can make up a significant portion of the diffuse soft X-ray background only if the slope of the optical quasar log N-log S relation is steeper than 2 to m sub b of about 21.5.

Structures of cycloserine and 2-oxazolidinone probed by X-ray photoelectron spectroscopy: theory and experiment.

PubMed

Ahmed, Marawan; Wang, Feng; Acres, Robert G; Prince, Kevin C

2014-05-22

The electronic structures and properties of 2-oxazolidinone and the related compound cycloserine (CS) have been investigated using theoretical calculations and core and valence photoelectron spectroscopy. Isomerization of the central oxazolidine heterocycle and the addition of an amino group yield cycloserine. Theory correctly predicts the C, N, and O 1s core spectra, and additionally, we report theoretical natural bond orbital (NBO) charges. The valence ionization energies are also in agreement with theory and previous measurements. Although the lowest binding energy part of the spectra of the two compounds shows superficial similarities, further analysis of the charge densities of the frontier orbitals indicates substantial reorganization of the wave functions as a result of isomerization. The highest occupied molecular orbital (HOMO) of CS shows leading carbonyl π character with contributions from other heavy (non-H) atoms in the molecule, while the HOMO of 2-oxazolidinone (OX2) has leading nitrogen, carbon, and oxygen pπ characters. The present study further theoretically predicts bond resonance effects of the compounds, evidence for which is provided by our experimental measurements and published crystallographic data.

Identification of Hard X-ray Sources in Galactic Globular Clusters: Simbol-X Simulations

NASA Astrophysics Data System (ADS)

Servillat, M.

2009-05-01

Globular clusters harbour an excess of X-ray sources compared to the number of X-ray sources in the Galactic plane. It has been proposed that many of these X-ray sources are cataclysmic variables that have an intermediate magnetic field, i.e. intermediate polars, which remains to be confirmed and understood. We present here several methods to identify intermediate polars in globular clusters from multiwavelength analysis. First, we report on XMM-Newton, Chandra and HST observations of the very dense Galactic globular cluster NGC 2808. By comparing UV and X-ray properties of the cataclysmic variable candidates, the fraction of intermediate polars in this cluster can be estimated. We also present the optical spectra of two cataclysmic variables in the globular cluster M 22. The HeII (4868 Å) emission line in these spectra could be related to the presence of a magnetic field in these objects. Simulations of Simbol-X observations indicate that the angular resolution is sufficient to study X-ray sources in the core of close, less dense globular clusters, such as M 22. The sensitivity of Simbol-X in an extended energy band up to 80 keV will allow us to discriminate between hard X-ray sources (such as magnetic cataclysmic variables) and soft X-ray sources (such as chromospherically active binaries).