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  • 51.
    Schiessling, Joachim
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Department of Physics and Materials Science, Physics V. Physics II.
    Kjeldgaard, L.
    Käämbre, Tanel
    Marenne, I.
    O´Shea, J. N.
    Schnadt, J.
    Glover, C. J.
    Nagasono, M.
    Nordlund, D.
    Garnier, M. G.
    Qian, Limin
    Rubensson, Jan-Erik
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Department of Physics and Materials Science, Physics V. Physics II.
    Rudolf, P.
    Mårtensson, Nils
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Department of Physics and Materials Science, Physics V. Physics II.
    Nordgren, Joseph
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Department of Physics and Materials Science, Physics V. Physics II.
    Brühwiler, Paul
    Department of Physics and Materials Science, Physics V. Physics II.
    Bulk and surface charge states of K3C602005In: Physical Review B, Vol. 71, no 16, p. 165420-Article in journal (Refereed)
  • 52.
    Schiessling, Joachim
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Department of Physics and Materials Science, Physics II. Physics V.
    Kjeldgaard, Lisbeth
    Käämbre, Tanel
    Marenne, I
    Qian, Limin
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Department of Physics and Materials Science, Physics II. Physics V.
    O´Shea, James
    Schnadt, Joachim
    Garnier, M. G.
    Nordlund, Dennis
    Nagasono, M.
    Glover, C. J.
    Rubensson, Jan-Erik
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Department of Physics and Materials Science, Physics II. Physics V.
    Mårtensson, Nils
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Department of Physics and Materials Science, Physics II. Physics V.
    Rudolf, P.
    Nordgren, Joseph
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Department of Physics and Materials Science, Physics II. Physics V.
    Brühwiler, Paul
    Department of Physics and Materials Science, Physics II. Physics V.
    Insulating surface layer on single crystal K3C602004In: The European Physical Journal B - Condensed Matter, Vol. 41, no 4, p. 435-438Article in journal (Refereed)
  • 53. 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.

  • 54.
    Schreck, Simon
    et al.
    Helmholtz Zentrum Berlin Mat & Energie GmbH, Inst Methods & Instrumentat Synchrotron Radiat Re, Albert Einstein Str 15, D-12489 Berlin, Germany.;Univ Potsdam, Inst Phys & Astron, Karl Liebknecht Str 24-25, D-14476 Potsdam, Germany.;AlbaNova Univ Ctr, Dept Phys, SE-10691 Stockholm, Sweden..
    Pietzsch, Annette
    Helmholtz Zentrum Berlin Mat & Energie GmbH, Inst Methods & Instrumentat Synchrotron Radiat Re, Albert Einstein Str 15, D-12489 Berlin, Germany..
    Kennedy, Brian
    Helmholtz Zentrum Berlin Mat & Energie GmbH, Inst Methods & Instrumentat Synchrotron Radiat Re, Albert Einstein Str 15, D-12489 Berlin, Germany..
    Sathe, Conny
    Max IV Lab, Box 118, S-22100 Lund, Sweden.;Max IV Lab, Box 118, S-22100 Lund, Sweden..
    Miedema, Piter S.
    Helmholtz Zentrum Berlin Mat & Energie GmbH, Inst Methods & Instrumentat Synchrotron Radiat Re, Albert Einstein Str 15, D-12489 Berlin, Germany..
    Techert, Simone
    DESY, FS Struct Dynam Bio Chem, Notkestr 85, D-22607 Hamburg, Germany.;Max Planck Inst Biophys Chem, Fassberg 11, D-37077 Gottingen, Germany.;Univ Gottingen, Inst Xray Phys, D-37077 Gottingen, Germany..
    Strocov, Vladimir N.
    Paul Scherrer Inst, Swiss Light Source, CH-5232 Villigen, Switzerland..
    Schmitt, Thorsten
    Paul Scherrer Inst, Swiss Light Source, CH-5232 Villigen, Switzerland..
    Hennies, Franz
    Max IV Lab, Box 118, S-22100 Lund, Sweden.;Max IV Lab, Box 118, S-22100 Lund, Sweden..
    Rubensson, Jan-Erik
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Foehlisch, Alexander
    Helmholtz Zentrum Berlin Mat & Energie GmbH, Inst Methods & Instrumentat Synchrotron Radiat Re, Albert Einstein Str 15, D-12489 Berlin, Germany.;Univ Potsdam, Inst Phys & Astron, Karl Liebknecht Str 24-25, D-14476 Potsdam, Germany..
    Ground state potential energy surfaces around selected atoms from resonant inelastic x-ray scattering2016In: Scientific Reports, ISSN 2045-2322, E-ISSN 2045-2322, Vol. 6, article id 20054Article in journal (Refereed)
    Abstract [en]

    Thermally driven chemistry as well as materials' functionality are determined by the potential energy surface of a systems electronic ground state. This makes the potential energy surface a central and powerful concept in physics, chemistry and materials science. However, direct experimental access to the potential energy surface locally around atomic centers and to its long-range structure are lacking. Here we demonstrate how sub-natural linewidth resonant inelastic soft x-ray scattering at vibrational resolution is utilized to determine ground state potential energy surfaces locally and detect long-range changes of the potentials that are driven by local modifications. We show how the general concept is applicable not only to small isolated molecules such as O-2 but also to strongly interacting systems such as the hydrogen bond network in liquid water. The weak perturbation to the potential energy surface through hydrogen bonding is observed as a trend towards softening of the ground state potential around the coordinating atom. The instrumental developments in high resolution resonant inelastic soft x-ray scattering are currently accelerating and will enable broad application of the presented approach. With this multidimensional potential energy surfaces that characterize collective phenomena such as (bio)molecular function or high-temperature superconductivity will become accessible in near future.

  • 55. Sheinerman, S.
    et al.
    Linusson, P.
    Eland, John H. D.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Soft X-Ray Physics.
    Hedin, Lage
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Soft X-Ray Physics.
    Andersson, E.
    Rubensson, Jan-Erik
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Soft X-Ray Physics.
    Karlsson, Leif
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Soft X-Ray Physics.
    Feifel, Raimund
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Soft X-Ray Physics.
    Influence of double Auger decay on low-energy 3d photoelectrons of krypton2012In: Physical Review A. Atomic, Molecular, and Optical Physics, ISSN 1050-2947, E-ISSN 1094-1622, Vol. 86, no 2, p. 022515-Article in journal (Refereed)
    Abstract [en]

    Effects of postcollision interaction (PCI) observable in low-energy 3d photoelectron spectra of Kr, which are associated with double Auger decay of the created inner-shell vacancy, are investigated by a combined experimental and theoretical approach. Measurements are based on an efficient multielectron coincidence method. Calculations have been carried out in the framework of a semiclassical approach. Our investigation reveals strong PCI distortion of the photoelectron line shapes, which depends on the kinematics of the process and the characteristics of the double Auger decay.

  • 56. Strocov, V N
    et al.
    Schmitt, Thorsten
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Department of Physics and Materials Science, Physics II.
    Rubensson, Jan-Erik
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Department of Physics and Materials Science, Physics II.
    Blaha, P
    Paskova, T
    Nilsson, P O
    Band structure effects in nitrogen K-edge resonant inelastic X-ray scattering from GaN2004In: Physica Status Solidi B: Basic Research, Vol. 241, no 7, p. R27-R29Article in journal (Refereed)
  • 57. Strocov, V N
    et al.
    Schmitt, Thorsten
    Rubensson, Jan-Erik
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Department of Physics and Materials Science, Physics II.
    Blaha, P
    Paskova, T
    Nilsson, P-O
    Momentum selectivity and anisotropy effects in the nitrogen K-edge resonant inelastic x-ray scattering from GaN2005In: Physical Review B, Vol. 72, no 8Article in journal (Refereed)
  • 58. Suljoti, Edlira
    et al.
    Garcia-Diez, Raul
    Bokarev, Sergey I.
    Lange, Kathrin M.
    Schoch, Roland
    Dierker, Brian
    Dantz, Marcus
    Yamamoto, Kenji
    Engel, Nicholas
    Atak, Kaan
    Kuehn, Oliver
    Bauer, Matthias
    Rubensson, Jan-Erik
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Aziz, Emad F.
    Direct Observation of Molecular Orbital Mixing in a Solvated Organometallic Complex2013In: Angewandte Chemie International Edition, ISSN 1433-7851, E-ISSN 1521-3773, Vol. 52, no 37, p. 9841-9844Article in journal (Refereed)
  • 59. Sun, Y. -P
    et al.
    Hennies, Franz
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Soft X-Ray Physics.
    Pietzsch, A.
    Kennedy, B.
    Schmitt, T.
    Strocov, V. N.
    Andersson, Joakim
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Soft X-Ray Physics.
    Berglund, M.
    Rubensson, Jan-Erik
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Soft X-Ray Physics.
    Aidas, K.
    Gel'mukhanov, F.
    Odelius, M.
    Foehlisch, A.
    Intramolecular soft modes and intermolecular interactions in liquid acetone2011In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 84, no 13, p. 132202-Article in journal (Refereed)
    Abstract [en]

    Resonant inelastic x-ray scattering spectra excited at the O1s(-1)pi* resonance of liquid acetone are presented. Scattering to the electronic ground state shows a resolved vibrational progression where the dominant contribution is due to the C-O stretching mode, thus demonstrating a unique sensitivity of the method to the local potential energy surface in complex molecular systems. For scattering to electronically excited states, soft vibrational modes and, to a smaller extent, intermolecular interactions give a broadening, which blurs the vibrational fine structure. It is predicted that environmental broadening is dominant in aqueous acetone.

  • 60. Sun, Y. -P
    et al.
    Miao, Q.
    Pietzsch, A.
    Hennies, F.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Schmitt, T.
    Strocov, V. N.
    Andersson, Joakim
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Kennedy, B.
    Schlappa, J.
    Foehlisch, A.
    Gel'mukhanov, F.
    Rubensson, Jan-Erik
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Interference between Resonant and Nonresonant Inelastic X-Ray Scattering2013In: Physical Review Letters, ISSN 0031-9007, E-ISSN 1079-7114, Vol. 110, no 22, p. 223001-Article in journal (Refereed)
    Abstract [en]

    A detailed study of inelastic x-ray scattering from the ground state to the (3)Sigma(g)(3 sigma(-1)(g)3s(g)(1)) state of the O-2 molecule is presented. The observed angular anisotropy shows that the vibrational excitations within this final state are strongly dependent on the polarization of the incident radiation. The analysis demonstrates that this is a manifestation of interference between resonant and direct nonresonant inelastic x-ray scattering. This interference provides a new tool to monitor nuclear dynamics by relative rotation of the polarization vectors of the incident and scattered photons.

  • 61.
    Såthe, Conny
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Department of Physics and Materials Science, Physics II.
    Ström, Magnus
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Department of Physics and Materials Science, Physics II.
    Agåker, Marcus
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Department of Physics and Materials Science, Physics II.
    Söderström, Johan
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Department of Physics and Materials Science, Physics II.
    Rubensson, Jan-Erik
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Department of Physics and Materials Science, Physics II.
    Richter, R
    Alagia, M
    Stranges, S
    Gorczyca, T W
    Robicheaux, F
    Double excitations of helium in weak static electric fields2006In: Physical Review Letters, Vol. 96, no 4Article in journal (Refereed)
  • 62.
    Söderström, Johan
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics and Materials Science, Physics II.
    Alagia, M
    Richter, R
    Stranges, S
    Agåker, Marcus
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics and Materials Science, Physics II.
    Ström, Magnus
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics and Materials Science, Physics II.
    Sorensen, Stacey
    Rubensson, Jan-Erik
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics and Materials Science, Physics II.
    X-ray-emission-threshold-electron coincidence spectroscopy2004In: Journal of Electron Spectroscopy and Related Phenomena, Vol. 141, no 2-3, p. 161-170Article in journal (Refereed)
  • 63.
    Söderström, Johan
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics.
    Gråsjö, Johan
    Medicinska vetenskapsområdet, Faculty of Pharmacy, Department of Pharmacy.
    Kashtanov, S
    Bergström, Christel
    Medicinska vetenskapsområdet, Faculty of Pharmacy, Department of Pharmacy.
    Agåker, Marcus
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics.
    Schmitt, Thorsten
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics.
    Augustsson, Andreas
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics.
    Duda, Laurent
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics.
    Guo, Jinghua
    Nordgren, Joseph
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics.
    Luo, Yi
    Artursson, Per
    Medicinska vetenskapsområdet, Faculty of Pharmacy, Department of Pharmacy.
    Rubensson, Jan-Erik
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics.
    X-ray yield and selectively excited X-ray emission spectra of atenolol and nadolol.2005In: J Electr Spectr, Vol. 144-147, p. 283-285Article in journal (Refereed)
  • 64.
    Terschlüsen, Joachim Andreas
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Agåker, Marcus
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Svanqvist, Mattias
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Plogmaker, Stefan
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Nordgren, Joseph
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Rubensson, Jan-Erik
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Siegbahn, Hans
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Söderström, Johan
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Measuring the temporal coherence of a high harmonic generation setup employing a Fourier transform spectrometer for the VUV/XUV2014In: Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, ISSN 0168-9002, E-ISSN 1872-9576, Vol. 768, p. 84-88Article in journal (Refereed)
    Abstract [en]

    In this experiment we used an 800 nm laser to generate high-order harmonics in a gas cell filled with Argon. Of those photons, a harmonic with 42 eV was selected by using a time-preserving grating monochromator. Employing a modified Mach–Zehnder type Fourier transform spectrometer for the VUV/XUV it was possible to measure the temporal coherence of the selected photons to about 6 fs. We demonstrated that not only could this kind of measurement be performed with a Fourier transform spectrometer, but also with some spatial resolution without modifying the XUV source or the spectrometer.

  • 65.
    Zhang, L.
    et al.
    Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA..
    Li, X.
    Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China..
    Augustsson, A.
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Lee, C. M.
    Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA..
    Rubensson, Jan-Erik
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Nordgren, Joseph
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
    Ross, P. N., Jr.
    Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA..
    Guo, J. -H
    Revealing the electronic structure of LiC6 by soft X-ray spectroscopy2017In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 110, no 10, article id 104106Article in journal (Refereed)
    Abstract [en]

    The electronic structure of LiC6 has been investigated by soft X-ray absorption and emission spectroscopies. The results reveal that upon full lithiation of graphite, the Li 2s electrons are transferred into the carbon pi* states in a near rigid-band behavior, resulting in the increased density of states near E-F and the shift of sigma* states to lower energies. In addition, the resonant inelastic X-ray scattering spectra of LiC6 do not show strong dispersive features as that of graphite, indicating that the crystal momentum is not conserved during the scattering process due to the delocalization of electrons in the intermediate state.

  • 66. Zitnik, M
    et al.
    Mihelič, A
    Bučar, K
    Kavčič, M
    Rubensson, Jan-Erik
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Svanqvist, Mattias
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Söderström, Johan
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Feifel, Raimund
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Såthe, C
    Ovcharenko, Y
    Lyamayev, V
    Mazza, T
    Meyer, M
    Simon, M
    Journel, L
    Lüning, J
    Plekan, O
    Coreno, M
    Devetta, M
    Di Fraia, M
    Finetti, P
    Richter, R
    Grazioli, C
    Prince, K C
    Callegari, C
    High resolution multiphoton spectroscopy by a tunable free-electron-laser light2014In: Physical Review Letters, ISSN 0031-9007, E-ISSN 1079-7114, Vol. 113, no 19, p. 193201-Article in journal (Refereed)
    Abstract [en]

    Seeded free electron lasers theoretically have the intensity, tunability, and resolution required for multiphoton spectroscopy of atomic and molecular species. Using the seeded free electron laser FERMI and a novel detection scheme, we have revealed the two-photon excitation spectra of dipole-forbidden doubly excited states in helium. The spectral profiles of the lowest (-1,0)^{+1} ^{1}S^{e} and (0,1)^{0} ^{1}D^{e} resonances display energy shifts in the meV range that depend on the pulse intensity. The results are explained by an effective two-level model based on calculated Rabi frequencies and decay rates.

  • 67. Århammar, C.
    et al.
    Endrino, J. L.
    Ramzan, Muhammad
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
    Horwat, D.
    Blomqvist, Andreas
    Rubensson, Jan-Erik
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Andersson, Joakim
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
    Ahuja, Rajeev
    Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory. Applied Materials Physics, Department of Materials and Engineering, Royal Institute of Technology (KTH).
    Probing temperature-induced ordering in supersaturated Ti-1 (-) xAlxN coatings by electronic structure2014In: Surface & Coatings Technology, ISSN 0257-8972, E-ISSN 1879-3347, Vol. 242, p. 207-213Article in journal (Refereed)
    Abstract [en]

    The ordering of supersaturated cubic titanium aluminum nitride (c-Ti0.35Al0.65N) coatings is probed from room temperature up to and above the point of spinodal decomposition, using Near Edge X-ray Absorption Fine-structure (NEXAFS) and first principles calculations. The measured and calculated nitrogen (N) K spectra suggest that unoccupied N p states hybridize with Ti d states. When temperature is raised the N p-Ti d overlap decreases, whereas hybridization between N p and Al p tends to increase. The observed spectral changes with temperature together with calculations of defect heat of formation suggest a depletion of N in the surroundings of Ti in c-Ai(1) (-) xAlxN and/or in the formed c-TiN.

12 51 - 67 of 67
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