| 1. |
- Jonsson, Viktor, et al.
(author)
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Photoelectron dispersion in metallic and insulating thin films
- 2021
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In: Physical Review Research. - : American Physical Society. - 2643-1564. ; 3:3
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Journal article (peer-reviewed)abstract
- The underlying mechanism behind the metal-to-insulator transition in is still a topic of intense debate. The two leading theoretical interpretations associate the transition with either electron-lattice or electron-electron correlations. Novel experimental results are required to converge towards one of the two scenarios. Here we report on a temperature-dependent angle-resolved photoelectron study of thin films across the metal-to-insulator transition. The obtained experimental results are compared to density functional theory calculations. We find an overall energy shift and compression of the electronic band structure across the transition while the overall band topology is conserved. The results demonstrate the importance of electron-electron correlations in establishing the insulating state.
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| 2. |
- Galeski, S., et al.
(author)
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Origin of the quasi-quantized Hall effect in ZrTe 5
- 2021
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In: Nature Communications. - : Springer Science and Business Media LLC. - 2041-1723 .- 2041-1723. ; 12:1
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Journal article (peer-reviewed)abstract
- The quantum Hall effect (QHE) is traditionally considered to be a purely two-dimensional (2D) phenomenon. Recently, however, a three-dimensional (3D) version of the QHE was reported in the Dirac semimetal ZrTe . It was proposed to arise from a magnetic-field-driven Fermi surface instability, transforming the original 3D electron system into a stack of 2D sheets. Here, we report thermodynamic, spectroscopic, thermoelectric and charge transport measurements on such ZrTe samples. The measured properties: magnetization, ultrasound propagation, scanning tunneling spectroscopy, and Raman spectroscopy, show no signatures of a Fermi surface instability, consistent with in-field single crystal X-ray diffraction. Instead, a direct comparison of the experimental data with linear response calculations based on an effective 3D Dirac Hamiltonian suggests that the quasi-quantization of the observed Hall response emerges from the interplay of the intrinsic properties of the ZrTe electronic structure and its Dirac-type semi-metallic character.
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| 3. |
- Horio, M., et al.
(author)
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Electronic reconstruction forming a C-2-symmetric Dirac semimetal in Ca3Ru2O7
- 2021
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In: npj Quantum Materials. - : Springer Science and Business Media LLC. - 2397-4648. ; 6:1
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Journal article (peer-reviewed)abstract
- Electronic band structures in solids stem from a periodic potential reflecting the structure of either the crystal lattice or electronic order. In the stoichiometric ruthenate Ca3Ru2O7, numerous Fermi surface-sensitive probes indicate a low-temperature electronic reconstruction. Yet, the causality and the reconstructed band structure remain unsolved. Here, we show by angle-resolved photoemission spectroscopy, how in Ca3Ru2O7 a C-2-symmetric massive Dirac semimetal is realized through a Brillouin-zone preserving electronic reconstruction. This Dirac semimetal emerges in a two-stage transition upon cooling. The Dirac point and band velocities are consistent with constraints set by quantum oscillation, thermodynamic, and transport experiments, suggesting that the complete Fermi surface is resolved. The reconstructed structure-incompatible with translational-symmetry-breaking density waves-serves as an important test for band structure calculations of correlated electron systems.
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| 4. |
- Kanyolo, Godwill Mbiti, et al.
(author)
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Honeycomb layered oxides: Structure, energy storage, transport, topology and relevant insights
- 2021
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In: Chemical Society Reviews. - : Royal Society of Chemistry (RSC). - 1460-4744 .- 0306-0012. ; 50:6, s. 3990-4030
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Research review (peer-reviewed)abstract
- The advent of nanotechnology has hurtled the discovery and development of nanostructured materials with stellar chemical and physical functionalities in a bid to address issues in energy, environment, telecommunications and healthcare. In this quest, a class of two-dimensional layered materials consisting of alkali or coinage metal atoms sandwiched between slabs exclusively made of transition metal and chalcogen (or pnictogen) atoms arranged in a honeycomb fashion have emerged as materials exhibiting fascinatingly rich crystal chemistry, high-voltage electrochemistry, fast cation diffusion besides playing host to varied exotic electromagnetic and topological phenomena. Currently, with a niche application in energy storage as high-voltage materials, this class of honeycomb layered oxides serves as ideal pedagogical exemplars of the innumerable capabilities of nanomaterials drawing immense interest in multiple fields ranging from materials science, solid-state chemistry, electrochemistry and condensed matter physics. In this review, we delineate the relevant chemistry and physics of honeycomb layered oxides, and discuss their functionalities for tunable electrochemistry, superfast ionic conduction, electromagnetism and topology. Moreover, we elucidate the unexplored albeit vastly promising crystal chemistry space whilst outlining effective ways to identify regions within this compositional space, particularly where interesting electromagnetic and topological properties could be lurking within the aforementioned alkali and coinage-metal honeycomb layered oxide structures. We conclude by pointing towards possible future research directions, particularly the prospective realisation of Kitaev-Heisenberg-Dzyaloshinskii-Moriya interactions with single crystals and Floquet theory in closely-related honeycomb layered oxide materials. This journal is
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| 5. |
- Leitner, Torsten, 1979-, et al.
(author)
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The CoESCA station at BESSY: Auger electron–photoelectron coincidences from surfaces demonstrated for Ag MNN
- 2021
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In: Journal of Electron Spectroscopy and Related Phenomena. - : Elsevier BV. - 0368-2048 .- 1873-2526. ; 250
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Journal article (peer-reviewed)abstract
- In this work, we present the CoESCA station for electron–electron coincidence spectroscopy from surfaces, built in a close collaboration between Uppsala University and Helmholtz-Zentrum Berlin at the BESSY II synchrotron facility in Berlin, Germany. We start with a detailed overview of previous work in the field of electron–electron coincidences, before we describe the CoESCA setup and its design parameters. The system is capable of recording shot-to-shot resolved 6D coincidence datasets, i.e. the kinetic energy and the two take off angles for both coincident electrons. The mathematics behind extracting and analysing these multi-dimensional coincidence datasets is introduced, with a focus on coincidence statistics, resulting in fundamental limits of the signal-to-noise ratio and its implications for acquisition times and the size of the raw data stream. The functionality of the CoESCA station is demonstrated for the example of Auger electron–photoelectron coincidences from silver surfaces for photoelectrons from the Ag 3d core levels and their corresponding MNN Auger electrons. The Auger spectra originating from the different core levels, 3d and 3d could be separated and further, the two-hole state energy distributions were determined for these Auger decay channels.
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| 6. |
- Ma, Le Anh, et al.
(author)
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Na-ion mobility in P2-type Na0.5MgxNi0.17-xMn0.83O2 (0
- 2021
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In: Physical Chemistry Chemical Physics. - : Royal Society of Chemistry (RSC). - 1463-9084 .- 1463-9076. ; 23:42, s. 24478-24486
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Journal article (peer-reviewed)abstract
- Sodium transition metal oxides with a layered structure are one of the most widely studied cathode materials for Na+-ion batteries. Since the mobility of Na+ in such cathode materials is a key factor that governs the performance of material, electrochemical and muon spin rotation and relaxation techniques are here used to reveal the Na+-ion mobility in a P2-type Na0.5MgxNi0.17-xMn0.83O2 (x = 0, 0.02, 0.05 and 0.07) cathode material. Combining electrochemical techniques such as galvanostatic cycling, cyclic voltammetry, and the galvanostatic intermittent titration technique with mu+SR, we have successfully extracted both self-diffusion and chemical-diffusion under a potential gradient, which are essential to understand the electrode material from an atomic-scale viewpoint. The results indicate that a small amount of Mg substitution has strong effects on the cycling performance and the Na+ mobility. Amongst the tested cathode systems, it was found that the composition with a Mg content of x = 0.02 resulted in the best cycling stability and highest Na+ mobility based on electrochemical and mu+SR results. The current study clearly shows that for developing a new generation of sustainable energy-storage devices, it is crucial to study and understand both the structure as well as dynamics of ions in the material on an atomic level.
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| 7. |
- Song, Jiao-Jiao, et al.
(author)
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The 4f-Hybridization Strength in CemMnIn3m+2n Heavy-Fermion Compounds Studied by Angle-Resolved Photoemission Spectroscopy
- 2021
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In: Chinese Physics Letters. - : IOP Publishing. - 0256-307X .- 1741-3540. ; 38:10
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Journal article (peer-reviewed)abstract
- We systemically investigate the nature of Ce 4f electrons in structurally layered heavy-fermion compounds CemMnIn3m+2n (with M = Co, Rh, Jr, and Pt, m = 1, 2, n = 0-2), at low temperature using on-resonance angle-resolved photoemission spectroscopy. Three heavy quasiparticle bands f(0), f(7/2)(1) and f(5/2)(1), are observed in all compounds, whereas their intensities and energy locations vary greatly with materials. The strong f(0) states imply that the localized electron behavior dominates the Ce 4f states. The Ce 4f electrons are partially hybridized with the conduction electrons, making them have the dual nature of localization and itinerancy. Our quantitative comparison reveals that the f(5/2)(1)-f (0) intensity ratio is more suitable to reflect the 4f-state hybridization strength.
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| 8. |
- Sugiyama, Jun, et al.
(author)
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Pressure dependence of ferromagnetic phase boundary in BaVSe3 studied with high-pressure μ+SR
- 2021
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In: Physical Review B. - : American Physical Society (APS). - 2469-9969 .- 2469-9950. ; 103:10
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Journal article (peer-reviewed)abstract
- The magnetic nature of a quasi-one-dimensional compound, BaVSe3, has been investigated with positive muon spin rotation and relaxation (μ+SR) measurements at ambient and high pressures. At ambient pressure, the μ+SR spectrum recorded under zero external magnetic field exhibited a clear oscillation below the Curie temperature (TC∼41K) due to the formation of quasistatic ferromagnetic order. The oscillation consisted of two different muon spin precession signals, indicating the presence of two magnetically different muon sites in the lattice. However, the two precession frequencies, which correspond to the internal magnetic fields at the two muon sites, could not be adequately explained with relatively simple ferromagnetic structures using the muon sites predicted by density functional theory calculations. The detailed analysis of the internal magnetic field suggested that the V moments align ferromagnetically along the c axis but slightly canted toward the a axis by 28 that is coupled antiferromagnetically. The ordered V moment (MV) is estimated as (0.59, 0, 1.11) μB. As pressure increased from ambient pressure, TC was found to decrease slightly up to about 1.5 GPa, at which point TC started to increase rapidly with the further increase of the pressure. Based on a strong ferromagnetic interaction along the c axis, the high-pressure μ+SR result revealed that there are two magnetic interactions in the ab plane; one is an antiferromagnetic interaction that is enhanced with pressure, mainly at pressures below 1.5 GPa, while the other is a ferromagnetic interaction that becomes predominant at pressures above 1.5 GPa.
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| 9. |
- Tissot, H., et al.
(author)
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Acetic acid conversion to ketene on Cu 2 O(1 0 0): Reaction mechanism deduced from experimental observations and theoretical computations
- 2021
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In: Journal of Catalysis. - : Elsevier BV. - 0021-9517 .- 1090-2694. ; 402, s. 154-165
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Journal article (peer-reviewed)abstract
- Ketene, a versatile reagent in production of fine and specialty chemicals, is produced from acetic acid. We investigate the synthesis of ketene from acetic acid over the (3,0;1,1) surface of Cu2O(1 0 0) through analysis of the adsorption and desorption characteristics of formic and acetic acids. The results allow us to establish a reaction mechanism for ketene formation. Observations from x-ray photoelectron spectroscopy (XPS), scanning tunneling microscopy, and temperature programmed desorption (TPD), supported by a comparison with formic acid results, suggest that acetic acid reacts with Cu2O through deprotonation to form acetate species coordinated to copper sites and hydroxylation of nearby surface oxygen sites. For formic acid the decomposition of adsorbed formate species results in desorption of CO2 and CO while, for acetic acid, high yields of ketene are observed at temperature >500 K. Modeling by density functional theory (DFT) confirms the strong interaction of acetic acid with the (3,0;1,1) surface and the spontaneous dissociation into adsorbed acetate and hydrogen atom species, the latter forming an OH-group. In an identified reaction intermediate ketene binds via all C and O atoms to Cu surface sites, in agreement with interpretations from XPS. In the vicinity of the adsorbate the surface experiences a local reorganization into a c(2 × 2) reconstruction. The total computed energy barrier for ketene formation is 1.81 eV in good agreement with the 1.74 eV obtained from TPD analysis. Our experimental observations and mechanistic DFT studies suggests that Cu2O can operate as an efficient catalyst for the green generation of ketene from acetic acid.
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| 10. |
- Urushihara, Daisuke, et al.
(author)
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Structural Transition with a Sharp Change in the Electrical Resistivity and Spin-Orbit Mott Insulating State in a Rhenium Oxide, Sr 3 Re 2 O 9
- 2021
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In: Inorganic Chemistry. - : American Chemical Society (ACS). - 0020-1669 .- 1520-510X. ; 60:2, s. 507-514
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Journal article (peer-reviewed)abstract
- We report the successful synthesis, crystal structure, and electrical properties of Sr3Re2O9, which contains Re6+ with the 5d1 configuration. This compound is isostructural with Ba3Re2O9 and shows a first-order structural phase transition at ∼370 K. The low-temperature (LT) phase crystallizes in a hettotype structure of Ba3Re2O9, which is different from that of the LT phase of Sr3W2O9, suggesting that the electronic state of Re6+ plays an important role in determining the crystal structure of the LT phase. The structural transition is accompanied by a sharp change in the electrical resistivity. This is likely a metal-insulator transition, as suggested by the electronic band calculation and magnetic susceptibility. In the LT phase, the ReO6 octahedra are rotated in a pseudo-a0a0a+ manner in Glazer notation, which corresponds to C-type orbital ordering. Paramagnetic dipole moments were confirmed to exist in the LT phase by muon spin rotation and relaxation measurements. However, the dipole moments shrink greatly because of the strong spin-orbit coupling in the Re ions. Thus, the electronic state of the LT phase corresponds to a Mott insulating state with strong spin-orbit interactions at the Re sites.
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