| 1. |
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| 2. |
- Vollmer, A., et al.
(författare)
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Two dimensional band structure mapping of organic single crystals using the new generation electron energy analyzer ARTOF
- 2012
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Ingår i: Journal of Electron Spectroscopy and Related Phenomena. - : Elsevier BV. - 0368-2048 .- 1873-2526. ; 185:3-4, s. 55-60
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Tidskriftsartikel (refereegranskat)abstract
- We report on a novel type of photoemission detector, the Angle Resolved Time Of Flight electron energy analyzer (ARTOF 10k), which enables electronic band structure determination under measurement conditions that are ideal for radiation-sensitive samples. This is facilitated through the combination of very high electron transmission and wide accessible angular range in one geometry. These properties make the ARTOF 10k predestined to investigate specimens that strongly suffer from radiation damage during photoemission experiments under "standard" conditions, such as organic single crystals, as extremely low fluxes can be used while not compromising spectra accumulation times and signal-to-noise ratio. Even though organic single crystals are of increasing fundamental and applied scientific interest, knowledge of their electronic properties is still largely based on theoretical calculations due to major experimental challenges in measuring photoemission. In this work we show that the band structures of rubrene and tetracene single crystals can be obtained with unprecedented quality using the ARTOF 10k detector. The dispersion of the highest occupied band in rubrene is confirmed in accordance with an earlier report [1] and we disclose the absence of notable dispersion for the highest occupied energy level on the surface of tetracene single crystals.
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| 3. |
- Gorgoi, M, et al.
(författare)
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The high kinetic energy photoelectron spectroscopy facility at BESSY progress and first results
- 2009
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Ingår i: Nuclear Instruments and Methods in Physics Research Section A. - : Elsevier BV. - 0168-9002 .- 1872-9576. ; 601:1-2, s. 48-53
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Tidskriftsartikel (refereegranskat)abstract
- Photoelectron spectroscopy at high kinetic energy is a research field that receives an increasing interest due to the possibility of studying bulk properties of materials and deeply buried interfaces. Recently the high kinetic energy electron (HIKE) spectroscopy facility at BESSY in Berlin has become operative at the bending magnet beamline KMC-1. The first results show very good performance. Electron spectra have been recorded using X-ray energies from 2 keV up to 12 keV. Using back-scattering conditions in the crystal monochromator, very high-resolution has been achieved for photon energies around 2, 6 and 8 keV. In the latter case, spectra with a resolving power from the monochromator of >= 80 000 have been achieved and it has been possible to perform electron spectroscopy with resolving power of >= 60 000, yielding a total instrument resolution of about 150 meV as determined directly from spectra. This paper describes the facility and reports some of the first results. (C) 2009 Elsevier B.V. All rights reserved.
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| 4. |
- Holldack, K., et al.
(författare)
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Single bunch X-ray pulses on demand from a multi-bunch synchrotron radiation source
- 2014
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Ingår i: Nature Communications. - : Springer Science and Business Media LLC. - 2041-1723. ; 5
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Tidskriftsartikel (refereegranskat)abstract
- Synchrotron radiation facilities routinely operate in a multi-bunch regime, but applications relying on time-of-flight schemes require single bunch operation. Here we show that pulse picking by resonant excitation in a storage ring creates in addition to the multi-bunch operation a distinct and separable single bunch soft X-ray source. It has variable polarization, a photon flux of up to 10(7)-10(9) ph s(-1)/0.1%BW at purity values of 10(4)-10(2) and a repetition rate of 1.25 MHz. The quasi-resonant excitation of incoherent betatron oscillations of electrons allows horizontal pulse separation at variable (also circular) polarization accessible for both, regular 30 ps pulses and ultrashort pulses of 2-3 ps duration. Combined with a new generation of angularly resolving electron spectrometers this creates unique opportunities for time-resolved photoemission studies as confirmed by time-of-flight spectra. Our pulse picking scheme is particularly suited for surface physics at diffraction-limited light sources promising ultimate spectral resolution.
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| 5. |
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| 6. |
- Johansson, Erik, et al.
(författare)
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Valence Electronic Structure Of Ruthenium Based Complexes Probed By Photoelectron Spectroscopy At High Kinetic Energy (Hike) And Modeled By Dft Calculations
- 2008
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Ingår i: Chemical Physics Letters. - : Elsevier BV. - 0009-2614 .- 1873-4448. ; 464:4-6, s. 192-197
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Tidskriftsartikel (refereegranskat)abstract
- The valence electronic structure of a series of molecular films containing ruthenium polypyridine complexes has been investigated by photoelectron spectroscopy (PES) at high kinetic energy (HIKE) using hard X-ray. The experiment shows the possibility to experimentally probe the metal contribution to the valence spectra in a bulk sensitive mode. Specifically to directly follow the Ru 4d contribution to the highest occupied molecular orbitals of such complexes. The experimental spectra are accurately modeled by DFT calculations only if a crystal structure environment is taken into account showing the importance of intermolecular interaction for modeling the electronic structure of such complexes.
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| 7. |
- Johansson, Fredrik, et al.
(författare)
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Tailoring ultra-fast charge transfer in MoS2
- 2020
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Ingår i: Physical Chemistry, Chemical Physics - PCCP. - : Royal Society of Chemistry (RSC). - 1463-9076 .- 1463-9084. ; 22:18, s. 10335-10342
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Tidskriftsartikel (refereegranskat)abstract
- Charge transfer dynamics are of importance in functional materials used in devices ranging from transistors to photovoltaics. The understanding of charge transfer in particular of how fast electrons tunnel away from an excited state and where they end up, is necessary to tailor materials used in devices. We have investigated charge transfer dynamics in different forms of the layered two-dimensional material molybdenum disulphide (MoS2, in single crystal, nanocrystalline particles and crystallites in a reduced graphene oxide network) using core-hole clock spectroscopy. By recording the electrons in the sulphur KLL Auger electron kinetic energy range we have measured the prevalence of localised and delocalised decays from a state created by core excitation using X-rays. We show that breaking the crystal symmetry of the single crystal into either particles or sheets causes the charge transfer from the excited state to occur faster, even more so when incorporating it in a graphene oxide network. The interface between the MoS2 and the reduced graphene oxide forms a Schottky barrier which changes the ratio between local and delocalised decays creating two distinct regions in the charge transfer dependent on the energy of the excited electron. Thereby we show that ultra-fast charge transfer in MoS2 can be tailored, a result which can be used in the design of emergent devices.
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| 8. |
- Karis, O., et al.
(författare)
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High-kinetic-energy photoemission spectroscopy of Ni at 1s: 6-eV satellite at 4 eV
- 2008
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Ingår i: Physical Review B (Condensed Matter and Materials Physics). - 1098-0121 .- 1550-235X. ; 78:23, s. 3-3
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Tidskriftsartikel (refereegranskat)abstract
- Electron correlations are responsible for many profound phenomena in solid-state physics. A classical example is the 6-eV satellite in the photoelectron spectrum of Ni. Until now the satellite structure has only been investigated at the L shell and more shallow levels. Here we report a high-kinetic-energy photoemission spectroscopy (HIKE) investigation of Ni metal. We present 1s and 2p photoelectron spectra, obtained using excitation energies up to 12.6 keV. Our investigation demonstrates that the energy position of the satellite relative to the main line is different for the 1s and the 2p levels. In combination with electronic structure calculations, we show that this energy shift is attributed to unique differences in the core-valence coupling for the K and L-2,L-3 shells in 3d transition metals, resulting in different screening of the core holes.
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| 9. |
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| 10. |
- Lewin, Erik, et al.
(författare)
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On the origin of a third spectral component of C1s XPS-spectra for nc-TiC/a-C nanocomposite thin films
- 2008
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Ingår i: Surface & Coatings Technology. - : Elsevier BV. - 0257-8972 .- 1879-3347. ; 202:15, s. 3563-3570
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Tidskriftsartikel (refereegranskat)abstract
- X-ray photoelectron spectroscopy (XPS) spectra of sputter-etched nc-TiC/a-C nanocomposite thin films published in literature show an extra feature of unknown origin in the C1s region. This feature is situated between the contributions of carbide and the carbon matrix. We have used high kinetic energy XPS (HIKE-XPS) on magnetron-sputtered nc-TiC/a-C thin films to show that this feature represents a third chemical environment in the nanocomposites, besides the carbide and the amorphous carbon. Our results show that component is present in as-deposited samples, and that the intensity is strongly enhanced by Ar+-ion etching. This third chemical environment may be due to interface or disorder effects. The implications of these observations on the XPS analysis of nanocomposites are discussed in the light of overlap problems for ternary carbon based systems.
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| 11. |
- Fondell, Mattis, et al.
(författare)
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Phase control of iron oxides grown in nano-scale structures on FTO and Si(100) : Hematite, maghemite and magnetite
- 2015
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Ingår i: Vacuum. - : Elsevier BV. - 0042-207X .- 1879-2715. ; 117, s. 85-90
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Tidskriftsartikel (refereegranskat)abstract
- We demonstrate that iron oxide in the form of hematite, suitable as absorption material in photo-electrochemical cells, can be produced by pulsed chemical vapour deposition. By choosing carbon monoxide or nitrogen as carrier gases in the process the phase and granularity of the grown material can be controlled. The choice of carrier gas affect the decomposition rate of iron pentacarbonyl used as iron precursor. The iron oxide phase is also dependent on the chosen substrate, here fluorine doped tin oxide and crystalline silicon have been used. Regardless of the substrate nitrogen yields hematite, whereas carbon monoxide gives, magnetite on Si and maghemite on fluorine doped tin oxide. A combination of Raman spectroscopy, X-ray diffraction, and hard X-ray photoelectron spectroscopy were used for characterization of the crystalline phase and chemical composition in the films. Scanning electron microscopy were used to visualise the deposited films' nano-structure.
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| 12. |
- Gorgoi, M., et al.
(författare)
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Hard X-ray high kinetic energy photoelectron spectroscopy at the KMC-1 beamline at BESSY
- 2009
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Ingår i: The European Physical Journal - Special Topics. - : Springer Science and Business Media LLC. - 1951-6355 .- 1951-6401. ; 169, s. 221-225
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Forskningsöversikt (refereegranskat)abstract
- Photoelectron spectroscopy at high kinetic energy is a research field that receives an increasing interest due to the possibility of studying bulk properties of materials and deeply buried interfaces. Recently, the hard x-ray high kinetic energy electron spectroscopy facility (HIKE) at BESSY in Berlin has become operative at the bending magnet beamline KMC-1. First results show excellent performance. Electron spectra have been recorded using x-ray energies continuously tunable between 2 keV and 12 keV. Using back-scattering conditions in the crystal monochromator very high resolution has been achieved for photon energies around 2 keV, 6 keV and 8 keV.
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| 13. |
- Gorgoi, M., et al.
(författare)
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Relative sub-shell photoionization cross-sections of nickel metal determined by hard X-ray high kinetic energy photoemission
- 2013
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Ingår i: Journal of Electron Spectroscopy and Related Phenomena. - : Elsevier. - 0368-2048 .- 1873-2526. ; 190, s. 153-158
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Tidskriftsartikel (refereegranskat)abstract
- Recently, hard X-ray high kinetic energy photoelectron spectroscopy has lead to a break-through due to its non destructive way of investigating the bulk electronic properties of materials. However, due to the relatively new development of this technique there is a lack of information concerning the photoionization cross sections at high energies. Whenever compound materials are investigated or when estimating signal levels and the feasibility of an electron spectroscopy experiment the knowledge of cross sections is essential. In the present work the experimentally determined relative sub-shell photoionization cross sections of shallow levels of nickel metal in the energy range of 2-9 keV will be shown. The data are compared with calculated sub-shell photoionization cross sections.
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| 14. |
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| 15. |
- Johansson, Erik M. J., et al.
(författare)
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Spin-Orbit Coupling and Metal-Ligand Interactions in Fe(II), Ru(II), and Os(II) Complexes
- 2010
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Ingår i: The Journal of Physical Chemistry C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455. ; 114:22, s. 10314-10322
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Tidskriftsartikel (refereegranskat)abstract
- The purpose of the present paper is to experimentally map the energy levels governing the trends observed in oxidation potentials and absorption spectra of M(bpy)32+ complexes (bpy = 2,2′-bipyridine, M = Fe(II), Ru(II), and Os(II)). Molecular films of the transition metal complexes were investigated with element specific methods using photoelectron spectroscopy (PES) at high kinetic energy using hard X-rays and by X-ray absorption spectroscopy (XAS). The results were compared to electronic structure calculations on the complexes and the ligand. The approach allows us to experimentally measure and interpret the energy levels in terms of spin−orbit coupling and metal−ligand interactions. Specifically, it was verified that the anomaly in the trend in oxidation potentials could be explained by a large spin−orbit coupling for the Os(bpy)32+. The influence of the different metal ions on the state formed upon light absorption was also investigated by N 1s X-ray absorption, and from the spectra we could determine the relative position of the levels originating from d−σ and π contributions. The results for the occupied and unoccupied electronic levels explain the lower energy of the MLCT transition of the Os(bpy)32+ in comparison to the Ru(bpy)32+.
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| 16. |
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| 17. |
- Lindbad, Rebecka, et al.
(författare)
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Electronic Structure of TiO2/CH(3)NH(3)Pbl(3) Perovskite Solar Cell Interfaces
- 2014
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Ingår i: The Journal of Physical Chemistry Letters. - : American Chemical Society (ACS). - 1948-7185. ; 5:4, s. 648-653
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Tidskriftsartikel (refereegranskat)abstract
- The electronic structure and chemical composition of efficient CH(3)NH(3)Pbl(3) perovskite solar cell materials deposited onto mesoporous TiO2 were studied using photoelectron spectroscopy with hard X-rays. With this technique, it is possible to directly measure the occupied energy levels of the perovskite as well as the TiO2 buried beneath and thereby determine the energy level matching of the interface. The measurements of the valence levels were in good agreement with simulated density of states, and the investigation gives information on the character of the valence levels. We also show that two different deposition techniques give results indicating similar electronic structures.
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| 18. |
- Lindblad, Rebecka, et al.
(författare)
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Electronic Structure of TiO2/CH3NH3PbI3 Perovskite Solar Cell Interfaces
- 2014
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Ingår i: The Journal of Physical Chemistry Letters. - : American Chemical Society (ACS). - 1948-7185. ; 5:4, s. 648-653
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Tidskriftsartikel (refereegranskat)abstract
- The electronic structure and chemical composition of efficient CH3NH3PbI3 perovskite solar cell materials deposited onto mesoporous TiO2 were studied using photoelectron spectroscopy with hard X-rays. With this technique, it is possible to directly measure the occupied energy levels of the perovskite as well as the TiO2 buried beneath and thereby determine the energy level matching of the interface. The measurements of the valence levels were in good agreement with simulated density of states, and the investigation gives information on the character of the valence levels. We also show that two different deposition techniques give results indicating similar electronic structures.
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| 19. |
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| 20. |
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| 21. |
- Mazumdar, Dipanjan, et al.
(författare)
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The valence band electronic structure of rhombohedral-like and tetragonal-like BiFeO3 thin films from hard X-ray photoelectron spectroscopy and first-principles theory
- 2016
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Ingår i: Journal of Electron Spectroscopy and Related Phenomena. - : Elsevier BV. - 0368-2048 .- 1873-2526. ; 208, s. 63-66
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Tidskriftsartikel (refereegranskat)abstract
- Abstract We investigate the electronic structure of rhombohedral-like (R) and tetragonal-like (T) BiFeO3 thin films using high energy X-ray photoelectron spectroscopy and first-principles electronic structure calculations. By exploiting the relative elemental cross sections to selectively probe the elemental composition of the valence band, we identify a strong Bi 6p contribution at the top of the valence band in both phases, overlapping in energy range with the O 2p states; this assignment is confirmed by our electronic structure calculations. We find that the measured occupied Bi 6p signal lies closer to the top of the valence band in the T phase than in the R phase, which we attribute, using our electronic structure calculations, to lower Bi–O hybridization in the T phase. We note, however, that our calculations of the corresponding densities of states underestimate the difference between the phases, suggesting that matrix element effects resulting from the different effective symmetries also contribute. Our results shed light on the chemical nature of the stereochemically active Bi lone pairs, which are responsible for the large ferroelectric polarization of BiFeO3.
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| 22. |
- Mukherjee, S., et al.
(författare)
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Role of boron diffusion in CoFeB/MgO magnetic tunnel junctions
- 2015
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Ingår i: Physical Review B. - 1098-0121 .- 1550-235X. ; 91:8
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Tidskriftsartikel (refereegranskat)abstract
- Several scientific issues concerning the latest generation read heads for magnetic storage devices, based on CoFeB/MgO/CoFeBmagnetic tunnel junctions (MTJs) are known to be controversial, including such fundamental questions as to the behavior and the role of B in optimizing the physical properties of these devices. Quantitatively establishing the internal structures of several such devices with different annealing conditions using hard x-ray photoelectron spectroscopy, we resolve these controversies and establish that the B diffusion is controlled by the capping Ta layer, though Ta is physically separated from the layer with B by several nanometers. While explaining this unusual phenomenon, we also provide insight into why the tunneling magnetoresistance (TMR) is optimized at an intermediate annealing temperature, relating it to B diffusion, coupled with our studies based on x-ray diffraction and magnetic studies.
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| 23. |
- Olsson, C. -OA., et al.
(författare)
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Quantifying the Metal Nickel Enrichment on Stainless Steel
- 2011
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Ingår i: Electrochemical and solid-state letters. - : The Electrochemical Society. - 1099-0062 .- 1944-8775. ; 14:1, s. C1-C3
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Tidskriftsartikel (refereegranskat)abstract
- Enrichment in metallic nickel below the passive film on a stainless steel was quantified using the novel HIgh Kinetic Energy Photo-Electron Spectroscopy technique. Two surfaces were tested: one passivated in air and one polarized to the mid passive region in 0.5 M H2SO4. Primary beam energies ranging from 2 to 6 keV were used to determine the thickness of the nickel-enriched layer to 0.55 nm with a Ni content of 70%.
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| 24. |
- Panda, Swarup K., et al.
(författare)
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High photon energy spectroscopy of NiO : Experiment and theory
- 2016
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Ingår i: PHYSICAL REVIEW B. - 2469-9950. ; 93:23
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Tidskriftsartikel (refereegranskat)abstract
- We have revisited the valence band electronic structure of NiO by means of hard x-ray photoemission spectroscopy (HAXPES) together with theoretical calculations using both the GW method and the local density approximation + dynamical mean-field theory (LDA+DMFT) approaches. The effective impurity problem in DMFT is solved through the exact diagonalization (ED) method. We show that the LDA+DMFT method in conjunction with the standard fully localized limit (FLL) and around mean field (AMF) double-counting alone cannot explain all the observed structures in the HAXPES spectra. GW corrections are required for the O bands and Ni-s and p derived states to properly position their binding energies. Our results establish that a combination of the GW and DMFT methods is necessary for correctly describing the electronic structure of NiO in a proper ab initio framework. We also demonstrate that the inclusion of photoionization cross section is crucial to interpret the HAXPES spectra of NiO. We argue that our conclusions are general and that the here suggested approach is appropriate for any complex transition metal oxide.
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