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  • 1.
    Jönsson, H. Olof
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Timneanu, Nicusor
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics. Uppsala University, Disciplinary Domain of Science and Technology, Biology, Department of Cell and Molecular Biology, Molecular biophysics.
    Östlin, Christofer
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Scott, Howard A.
    Caleman, Carl
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Simulations of Radiation Damage as a Function of the Temporal Pulse Profile in Femtosecond X-ray Protein Crystallography2015In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 22, no 2, p. 256-266Article in journal (Refereed)
    Abstract [en]

    Serial femtosecond X-ray crystallography of protein nanocrystals using ultrashort and intense pulses from an X-ray free-electron laser has proved to be a successful method for structural determination. However, due to significant variations in diffraction pattern quality from pulse to pulse only a fraction of the collected frames can be used. Experimentally, the X-ray temporal pulse profile is not known and can vary with every shot. This simulation study describes how the pulse shape affects the damage dynamics, which ultimately affects the biological interpretation of electron density. The instantaneously detected signal varies during the pulse exposure due to the pulse properties, as well as the structural and electronic changes in the sample. Here ionization and atomic motion are simulated using a radiation transfer plasma code. Pulses with parameters typical for X-ray free-electron lasers are considered: pulse energies ranging from 10$\sp 4$ to 10$\sp 7$Jcm$\sp $-$2$ with photon energies from 2 to 12keV, up to 100fs long. Radiation damage in the form of sample heating that will lead to a loss of crystalline periodicity and changes in scattering factor due to electronic reconfigurations of ionized atoms are considered here. The simulations show differences in the dynamics of the radiation damage processes for different temporal pulse profiles and intensities, where ionization or atomic motion could be predominant. The different dynamics influence the recorded diffracted signal in any given resolution and will affect the subsequent structure determination.

  • 2.
    Kubo, Minoru
    et al.
    RIKEN SPring 8 Ctr, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan.;Japan Sci & Technol Agcy, PRESTO, 4-1-8 Honcho, Kawaguchi, Saitama 3320012, Japan..
    Nango, Eriko
    RIKEN SPring 8 Ctr, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan.;Kyoto Univ, Grad Sch Med, Dept Cell Biol, Sakyo Ku, Yoshidakonoe Cho, Kyoto 6068501, Japan..
    Tono, Kensuke
    Japan Synchrotron Radiat Res Inst, 1-1-1 Kouto, Sayo, Hyogo 6795198, Japan..
    Kimura, Tetsunari
    RIKEN SPring 8 Ctr, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan.;Kobe Univ, Grad Sch Sci, Dept Chem, Nada Ku, 1-1 Rokkodai, Kobe, Hyogo 6578501, Japan..
    Owada, Shigeki
    RIKEN SPring 8 Ctr, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan..
    Song, Changyong
    RIKEN SPring 8 Ctr, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan.;Pohang Univ Sci & Technol, Dept Phys, Pohang 790784, South Korea..
    Mafune, Fumitaka
    Univ Tokyo, Sch Arts & Sci, Dept Basic Sci, Meguro Ku, Tokyo 1538902, Japan..
    Miyajima, Ken
    Univ Tokyo, Sch Arts & Sci, Dept Basic Sci, Meguro Ku, Tokyo 1538902, Japan..
    Takeda, Yoshihiro
    Genesis Res Inst Inc, East Tokyo Lab, Ichikawa, Chiba 2720001, Japan..
    Kohno, Jun-ya
    Gakushuin Univ, Sch Sci, Dept Chem, Toshima Ku, Tokyo, Japan..
    Miyauchi, Naoya
    Natl Inst Mat Sci, Res Ctr Adv Measurement & Characterizat, Tsukuba, Ibaraki 3050047, Japan..
    Nakane, Takanori
    Univ Tokyo, Grad Sch Sci, Dept Biol Sci, Bunkyo Ku, 7-3-1 Hongo, Tokyo 1130033, Japan..
    Tanaka, Tomoyuki
    RIKEN SPring 8 Ctr, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan..
    Nomura, Takashi
    RIKEN SPring 8 Ctr, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan..
    Davidsson, Jan
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Tanaka, Rie
    RIKEN SPring 8 Ctr, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan..
    Murata, Michio
    Osaka Univ, Lipid Act Struct Project, JST ERATO, 1-1 Machikaneyama, Toyonaka, Osaka 5600043, Japan..
    Kameshima, Takashi
    Japan Synchrotron Radiat Res Inst, 1-1-1 Kouto, Sayo, Hyogo 6795198, Japan..
    Hatsui, Takaki
    RIKEN SPring 8 Ctr, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan..
    Joti, Yasumasa
    Japan Synchrotron Radiat Res Inst, 1-1-1 Kouto, Sayo, Hyogo 6795198, Japan..
    Neutze, Richard
    Univ Gothenburg, Dept Chem & Mol Biol, Box 462, SE-40530 Gothenburg, Sweden..
    Yabashi, Makina
    RIKEN SPring 8 Ctr, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan..
    Iwata, So
    RIKEN SPring 8 Ctr, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan.;Kyoto Univ, Grad Sch Med, Dept Cell Biol, Sakyo Ku, Yoshidakonoe Cho, Kyoto 6068501, Japan..
    Nanosecond pump-probe device for time-resolved serial femtosecond crystallography developed at SACLA2017In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 24, p. 1086-1091Article in journal (Refereed)
    Abstract [en]

    X-ray free-electron lasers (XFELs) have opened new opportunities for timeresolved X-ray crystallography. Here a nanosecond optical-pump XFEL-probe device developed for time-resolved serial femtosecond crystallography (TRSFX) studies of photo-induced reactions in proteins at the SPring-8 Angstrom Compact free-electron LAser (SACLA) is reported. The optical-fiber-based system is a good choice for a quick setup in a limited beam time and allows pump illumination from two directions to achieve high excitation efficiency of protein microcrystals. Two types of injectors are used: one for extruding highly viscous samples such as lipidic cubic phase (LCP) and the other for pulsed liquid droplets. Under standard sample flow conditions from the viscous-sample injector, delay times from nanoseconds to tens of milliseconds are accessible, typical time scales required to study large protein conformational changes. A first demonstration of a TR-SFX experiment on bacteriorhodopsin in bicelle using a setup with a droplet-type injector is also presented.

  • 3.
    Larsen, Simon R.
    et al.
    Univ Copenhagen, Niels Bohr Inst, Copenhagen, Denmark.
    Hansteen, Marie
    Norwegian Univ Sci & Technol NTNU, Trondheim, Norway.
    Pacakova, Barbara
    Norwegian Univ Sci & Technol NTNU, Trondheim, Norway.
    Theodor, Keld
    Univ Copenhagen, Niels Bohr Inst, Copenhagen, Denmark.
    Arnold, Thomas
    Harwell Sci & Innovat Campus, Diamond Light Source, Fermi Ave, Oxon, England.
    Rennie, Adrian R.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy.
    Helgesen, Geir
    Inst Energy Technol IFE, Kjeller, Norway.
    Knudsen, Kenneth D.
    Norwegian Univ Sci & Technol NTNU, Trondheim, Norway; Inst Energy Technol IFE, Kjeller, Norway.
    Bordallo, Heloisa N.
    Univ Copenhagen, Niels Bohr Inst, Copenhagen, Denmark; European Spallat Source ERIC, Lund, Sweden.
    Fossum, Jon Otto
    Norwegian Univ Sci & Technol NTNU, Trondheim, Norway.
    Cavalcanti, Leide P.
    Inst Energy Technol IFE, Kjeller, Norway.
    Sample cell for studying liquid interfaces with an in situ electric field using X-ray reflectivity and application to clay particles at oil–oil interfaces2018In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 25, no Part: 3, p. 915-917Article in journal (Refereed)
    Abstract [en]

    Commissioning results of a liquid sample cell for X-ray reflectivity studies with an in situ applied electrical field are presented. The cell consists of a Plexiglas container with lateral Kapton windows for air-liquid and liquid-liquid interface studies, and was constructed with grooves to accept plate electrodes on the walls parallel to the direction of the beam. Both copper and ITO plate electrodes have been used, the latter being useful for simultaneous optical studies. Commissioning tests were made at the I07 beamline of the Diamond Light Source.

  • 4.
    Mak, Alan
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, FREIA.
    Salén, Peter
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, FREIA.
    Goryashko, Vitaliy
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, FREIA.
    Compact undulator line for a high-brilliance soft-X-ray free-electron laser at MAX IV2019In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 26, p. 891-898Article in journal (Refereed)
    Abstract [en]

    The optimal parameter space for an X-ray free-electron laser (FEL) in the self-amplified spontaneous emission (SASE) operation mode is examined. This study focuses on FEL operation with a shorter undulator period and higher undulator strength made available through recent developments in in-vacuum, cryogenic and superconducting undulators. Progress on short-period undulator technologies is surveyed and FEL output characteristics versus undulator parameters are computed. The study is performed on a case of the planned soft-X-ray FEL at the MAX IV Laboratory in Sweden. An extension of the SASE mode into the harmonic lasing self-seeded mode is also analysed.

  • 5.
    Mittone, Alberto
    et al.
    European Synchrotron Radiat Facil, 71 Ave Martyrs, F-38000 Grenoble, France..
    Manakov, Ilja
    Ludwig Maximimilian Univ, Coulombwall 1, D-85748 Munich, Germany..
    Broche, Ludovic
    Uppsala University, Disciplinary Domain of Medicine and Pharmacy, Faculty of Medicine, Department of Surgical Sciences, Hedenstierna laboratory.
    Jarnias, Christophe
    European Synchrotron Radiat Facil, 71 Ave Martyrs, F-38000 Grenoble, France..
    Coan, Paola
    Ludwig Maximimilian Univ, Coulombwall 1, D-85748 Munich, Germany..
    Bravin, Alberto
    European Synchrotron Radiat Facil, 71 Ave Martyrs, F-38000 Grenoble, France..
    Characterization of a sCMOS-based high-resolution imaging system2017In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 24, p. 1226-1236Article in journal (Refereed)
    Abstract [en]

    The detection system is a key part of any imaging station. Here the performance of the novel sCMOS-based detection system installed at the ID17 biomedical beamline of the European Synchrotron Radiation Facility and dedicated to high-resolution computed-tomography imaging is analysed. The system consists of an X-ray-visible-light converter, a visible-light optics and a PCO.Edge5.5 sCMOS detector. Measurements of the optical characteristics, the linearity of the system, the detection lag, the modulation transfer function, the normalized power spectrum, the detective quantum efficiency and the photon transfer curve are presented and discussed. The study was carried out at two different X-ray energies (35 and 50 keV) using both 2x and 1x optical magnification systems. The final pixel size resulted in 3.1 and 6.2 mu m, respectively. The measured characteristic parameters of the PCO.Edge5.5 are in good agreement with the manufacturer specifications. Fast imaging can be achieved using this detection system, but at the price of unavoidable losses in terms of image quality. The way in which the X-ray beam inhomogeneity limited some of the performances of the system is also discussed.

  • 6.
    Nasedkin, Alexandr
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Davidsson, Jan
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
    Kumpugdee-Vollrath, Mont
    Determination of nanostructure of liposomes containing two model drugs by X-ray scattering from a synchrotron source2013In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 20, p. 721-728Article in journal (Refereed)
    Abstract [en]

    Small-angle X-ray scattering has been employed to study how the introduction of paracetamol and acetylsalicylic acid into a liposome bilayer system affects the system's nanostructure. An X-ray scattering model, developed for multilamellar liposome systems [Pabst et al. (2000), Phys. Rev. E, 62, 4000-4009], has been used to fit the experimental data and to extract information on how structural parameters, such as the number and thickness of the bilayers of the liposomes, thickness of the water layer in between the bilayers, size and volume of the head and tail groups, are affected by the drugs and their concentration. Even though the experimental data reveal a complicated picture of the drug-bilayer interaction, they clearly show a correlation between nanostructure, drug and concentration in some aspects. The localization of the drugs in the bilayers is discussed.

  • 7. Nass, Karol
    et al.
    Foucar, Lutz
    Barends, Thomas R. M.
    Hartmann, Elisabeth
    Botha, Sabine
    Shoeman, Robert L.
    Doak, R. Bruce
    Alonso-Mori, Roberto
    Aquila, Andrew
    Bajt, Saša
    Barty, Anton
    Bean, Richard
    Beyerlein, Kenneth R.
    Bublitz, Maike
    Drachmann, Nikolaj
    Gregersen, Jonas
    Jönsson, H. Olof
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Kabsch, Wolfgang
    Kassemeyer, Stephan
    Koglin, Jason E.
    Krumrey, Michael
    Mattle, Daniel
    Messerschmidt, Marc
    Nissen, Poul
    Reinhard, Linda
    Sitsel, Oleg
    Sokaras, Dimosthenis
    Williams, Garth J.
    Hau-Riege, Stefan
    Timneanu, Nicusor
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Caleman, Carl
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Chapman, Henry N.
    Boutet, Sébastien
    Schlichting, Ilme
    Indications of radiation damage in ferredoxin microcrystals using high-intensity X-FEL beams2015In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 22, no 2, p. 225-238Article in journal (Refereed)
    Abstract [en]

    Proteins that contain metal cofactors are expected to be highly radiation sensitive since the degree of X-ray absorption correlates with the presence of high-atomic-number elements and X-ray energy. To explore the effects of local damage in serial femtosecond crystallography (SFX), Clostridium ferredoxin was used as a model system. The protein contains two [4Fe–4S] clusters that serve as sensitive probes for radiation-induced electronic and structural changes. High-dose room-temperature SFX datasets were collected at the Linac Coherent Light Source of ferredoxin microcrystals. Difference electron density maps calculated from high-dose SFX and synchrotron data show peaks at the iron positions of the clusters, indicative of decrease of atomic scattering factors due to ionization. The electron density of the two [4Fe–4S] clusters differs in the FEL data, but not in the synchrotron data. Since the clusters differ in their detailed architecture, this observation is suggestive of an influence of the molecular bonding and geometry on the atomic displacement dynamics following initial photoionization. The experiments are complemented by plasma code calculations.

  • 8.
    Pietrini, Alberto
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Biology, Department of Cell and Molecular Biology, Molecular biophysics.
    Nettelblad, Carl
    Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Department of Information Technology, Division of Scientific Computing. Uppsala University, Disciplinary Domain of Science and Technology, Mathematics and Computer Science, Department of Information Technology, Computational Science. Uppsala University, Science for Life Laboratory, SciLifeLab.
    Artifact reduction in the CSPAD detectors used for LCLS experiments2017In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 24, p. 1092-1097Article in journal (Refereed)
  • 9. Schmitt, Thorsten
    et al.
    de Groot, Frank M. F.
    Rubensson, Jan-Erik
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Prospects of high-resolution resonant X-ray inelastic scattering studies on solid materials, liquids and gases at diffraction-limited storage rings2014In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 21, p. 1065-1076Article in journal (Refereed)
    Abstract [en]

    The spectroscopic technique of resonant inelastic X-ray scattering (RIXS) will particularly profit from immensely improved brilliance of diffraction-limited storage rings (DLSRs). In RIXS one measures the intensities of excitations as a function of energy and momentum transfer. DLSRs will allow for pushing the achievable energy resolution, signal intensity and the sampled spot size to new limits. With RIXS one nowadays probes a broad range of electronic systems reaching from simple molecules to complex materials displaying phenomena like peculiar magnetism, two-dimensional electron gases, superconductivity, photovoltaic energy conversion and heterogeneous catalysis. In this article the types of improved RIXS studies that will become possible with X-ray beams from DLSRs are envisioned.

  • 10. Schnadt, Joachim
    et al.
    Knudsen, Jan
    Andersen, Jesper N.
    Siegbahn, Hans
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Surface and Interface Science.
    Pietzsch, Annette
    Hennies, Franz
    Johansson, Niclas
    Mårtensson, Nils
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Surface and Interface Science.
    Ohrwall, Gunnar
    Bahr, Stephan
    Maehl, Sven
    Schaff, Oliver
    The new ambient-pressure X-ray photoelectron spectroscopy instrument at MAX-lab2012In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 19, p. 701-704Article in journal (Refereed)
    Abstract [en]

    The new instrument for near-ambient-pressure X-ray photoelectron spectroscopy which has been installed at the MAX II ring of the Swedish synchrotron radiation facility MAX IV Laboratory in Lund is presented. The new instrument, which is based on a SPECS PHOIBOS 150 NAP analyser, is the first to feature the use of retractable and exchangeable high-pressure cells. This implies that clean vacuum conditions are retained in the instrument's analysis chamber and that it is possible to swiftly change between near-ambient and ultrahigh-vacuum conditions. In this way the instrument implements a direct link between ultrahigh-vacuum and in situ studies, and the entire pressure range from ultrahigh-vacuum to near-ambient conditions is available to the user. Measurements at pressures up to 10(-5) mbar are carried out in the ultrahigh-vacuum analysis chamber, while measurements at higher pressures are performed in the high-pressure cell. The installation of a mass spectrometer on the exhaust line of the reaction cell offers the users the additional dimension of simultaneous reaction data monitoring. Moreover, the chosen design approach allows the use of dedicated cells for different sample environments, rendering the Swedish ambient-pressure X-ray photoelectron spectroscopy instrument a highly versatile and flexible tool.

  • 11.
    Schulz, J.
    et al.
    European XFEL, Holzkoppel 4, D-22869 Schenefeld, Germany.
    Bielecki, J.
    European XFEL, Holzkoppel 4, D-22869 Schenefeld, Germany.
    Doak, R. B.
    Max Planck Inst Med Res, Jahnstr 29, D-69120 Heidelberg, Germany.
    Doerner, K.
    European XFEL, Holzkoppel 4, D-22869 Schenefeld, Germany.
    Graceffa, R.
    European XFEL, Holzkoppel 4, D-22869 Schenefeld, Germany.
    Shoeman, R. L.
    Max Planck Inst Med Res, Jahnstr 29, D-69120 Heidelberg, Germany.
    Sikorski, M.
    European XFEL, Holzkoppel 4, D-22869 Schenefeld, Germany.
    Thute, P.
    European XFEL, Holzkoppel 4, D-22869 Schenefeld, Germany.
    Westphal, Daniel
    Uppsala University, Disciplinary Domain of Science and Technology, Biology, Department of Cell and Molecular Biology, Molecular biophysics.
    Mancuso, A. P.
    European XFEL, Holzkoppel 4, D-22869 Schenefeld, Germany;La Trobe Univ, Dept Chem & Phys, La Trobe Inst Mol Sci, Melbourne, Vic 3086, Australia.
    A versatile liquid-jet setup for the European XFEL2019In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 26, p. 339-345Article in journal (Refereed)
    Abstract [en]

    The SPB/SFX instrument of the European XFEL provides unique possibilities for high-throughput serial femtosecond crystallography. This publication presents the liquid-jet sample delivery setup of this instrument. The setup is compatible with state-of-the-art gas dynamic virtual nozzle systems as well as high-viscosity extruders and provides space and flexibility for other liquid injection devices and future upgrades. The liquid jets are confined in a differentially pumped catcher assembly and can be replaced within a couple of minutes through a load-lock. A two-microscope imaging system allows visual control of the jets from two perspectives.

  • 12. Shastri, S D
    et al.
    Almer, J
    Ribbing, Carolina
    Uppsala University, Disciplinary Domain of Science and Technology, Technology, Department of Engineering Sciences, Solid State Electronics.
    Cederström, B
    High-energy X-ray optics with silicon saw-tooth refractive lenses2007In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 14, no part 2, p. 204-211Article in journal (Refereed)
    Abstract [en]

    Silicon saw-tooth refractive lenses have been in successful use for vertical focusing and collimation of high-energy X-rays (50-100 keV) at the 1-ID undulator beamline of the Advanced Photon Source. In addition to presenting an effectively parabolic thickness profile, as required for aberration-free refractive optics, these devices allow high transmission and continuous tunability in photon energy and focal length. Furthermore, the use of a single-crystal material (i.e. Si) minimizes small-angle scattering background. The focusing performance of such saw-tooth lenses, used in conjunction with the 1-ID beamline's bent double-Laue monochromator, is presented for both short (1:0.02) and long (1:0.6) focal-length geometries, giving line-foci in the 2 µm-25 µm width range with 81 keV X-rays. In addition, a compound focusing scheme was tested whereby the radiation intercepted by a distant short-focal-length lens is increased by having it receive a collimated beam from a nearer (upstream) lens. The collimation capabilities of Si saw-tooth lenses are also exploited to deliver enhanced throughput of a subsequently placed small-angular-acceptance high-energy-resolution post-monochromator in the 50-80 keV range. The successful use of such lenses in all these configurations establishes an important detail, that the pre-monochromator, despite being comprised of vertically reflecting bent Laue geometry crystals, can be brilliance-preserving to a very high degree.

  • 13.
    Urpelainen, Samuli
    et al.
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden..
    Sathe, Conny
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden..
    Grizolli, Walan
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden..
    Agåker, Marcus
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Head, Ashley R.
    Lund Univ, Dept Phys, Div Synchrotron Radiat Res, POB 118, S-22100 Lund, Sweden..
    Andersson, Margit
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden..
    Huang, Shih-Wen
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden..
    Jensen, Brian N.
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden..
    Wallen, Erik
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden.;Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA..
    Tarawneh, Hamed
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden..
    Sankari, Rami
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden..
    Nyholm, Ralf
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden..
    Lindberg, Mirjam
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden..
    Sjoblom, Peter
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden..
    Johansson, Niclas
    Lund Univ, Dept Phys, Div Synchrotron Radiat Res, POB 118, S-22100 Lund, Sweden..
    Reinecke, Benjamin N.
    Lund Univ, Dept Phys, Div Synchrotron Radiat Res, POB 118, S-22100 Lund, Sweden..
    Arman, M. Alif
    Lund Univ, Dept Phys, Div Synchrotron Radiat Res, POB 118, S-22100 Lund, Sweden..
    Merte, Lindsay R.
    Lund Univ, Dept Phys, Div Synchrotron Radiat Res, POB 118, S-22100 Lund, Sweden..
    Knudsen, Jan
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden.;Lund Univ, Dept Phys, Div Synchrotron Radiat Res, POB 118, S-22100 Lund, Sweden..
    Schnadt, Joachim
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden.;Lund Univ, Dept Phys, Div Synchrotron Radiat Res, POB 118, S-22100 Lund, Sweden..
    Andersen, Jesper N.
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden.;Lund Univ, Dept Phys, Div Synchrotron Radiat Res, POB 118, S-22100 Lund, Sweden..
    Hennies, Franz
    Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden..
    The SPECIES beamline at the MAX IV Laboratory: a facility for soft X-ray RIXS and APXPS2017In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 24, p. 344-353Article in journal (Refereed)
    Abstract [en]

    SPECIES is an undulator-based soft X-ray beamline that replaced the old I511 beamline at the MAX II storage ring. SPECIES is aimed at high-resolution ambient-pressure X-ray photoelectron spectroscopy (APXPS), near-edge X-ray absorption fine-structure (NEXAFS), X-ray emission spectroscopy (XES) and resonant inelastic X-ray scattering (RIXS) experiments. The beamline has two branches that use a common elliptically polarizing undulator and monochromator. The beam is switched between the two branches by changing the focusing optics after the monochromator. Both branches have separate exit slits, refocusing optics and dedicated permanent endstations. This allows very fast switching between two types of experiments and offers a unique combination of the surface-sensitive XPS and bulk-sensitive RIXS techniques both in UHV- and at elevated ambient-pressure conditions on a single beamline. Another unique property of the beamline is that it reaches energies down to approximately 27 eV, which is not obtainable on other current APXPS beamlines. This allows, for instance, valence band studies under ambient-pressure conditions. In this article the main properties and performance of the beamline are presented, together with selected showcase experiments performed on the new setup.

  • 14.
    Wojtaszek, Klaudia
    et al.
    Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland.
    Wach, Anna
    Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland.
    Czapla-Masztafiak, Joanna
    Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland.
    Tyrala, Krzysztof
    Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland.
    Sá, Jacinto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry. Polish Acad Sci, Inst Phys Chem, Warsaw, Poland.
    Özer, Luetfiye Yildiz
    Khalifa Univ Sci & Technol, Dept Chem Engn, POB 54224, Abu Dhabi, U Arab Emirates.
    Garlisi, Corrado
    Khalifa Univ Sci & Technol, Dept Chem Engn, POB 54224, Abu Dhabi, U Arab Emirates.
    Palmisano, Giovanni
    Khalifa Univ Sci & Technol, Dept Chem Engn, POB 54224, Abu Dhabi, U Arab Emirates.
    Szlachetko, Jakub
    Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland.
    The influence of nitrogen doping on the electronic structure of the valence and conduction band in TiO22019In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 26, p. 145-151Article in journal (Refereed)
    Abstract [en]

    X-ray emission spectroscopy (XES) and X-ray absorption spectroscopy (XAS) provide a unique opportunity to probe both the highest occupied and the lowest unoccupied states in matter with bulk sensitivity. In this work, a combination of valence-to-core XES and pre-edge XAS techniques are used to determine changes induced in the electronic structure of titanium dioxide doped with nitrogen atoms. Based on the experimental data it is shown that N-doping leads to incorporation of the p-states on the occupied electronic site. For the conduction band, a decrease in population of the lowest unoccupied d-localized orbitals with respect to the d-delocalized orbitals is observed. As confirmed by theoretical calculations, the N p-states in TiO2 structure are characterized by higher binding energy than the O p-states which gives a smaller value of the band-gap energy for the doped material.

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