Øystein Prytz

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We study the electronic structure of black phosphorus by combining state-of-the-art density functional theory, multiple scattering calculations and electron energy loss spectroscopy. The hybrid functionals HSE03 and PBE0 are tested to investigate whether they give an improved description compared to the more traditional PZ-LDA and PBE-GGA functionals. These(More)
The layered Zintl compound SrZnSb2 is investigated using transmission electron microscopy (TEM) to understand the low lattice thermal conductivity. The material displays out-of-phase boundaries with a spacing from 100 down to 2 nm. Density functional theory calculations confirm that the TEM-derived defect structure is energetically reasonable. The impact of(More)
Silicon has been the subject of an extensive research effort aimed at developing new anode materials for lithium ion batteries due to its large specific and volumetric capacity. However, commercial use is limited by a number of degradation problems, many of which are related to the large volume change the material undergoes during cycling in combination(More)
The dielectric response of pentagonal defects in multilayer graphene nano-cones has been studied by electron energy loss spectroscopy and ab initio simulations. At the cone apex, a strong modification of the dielectric response is observed below the energy of the π plasmon resonance. This is attributed to π → π* interband transitions induced by(More)
The electronic structure of SrZn2Sb2 and YbZn2Sb2 is investigated using density functional theory and high-resolution x-ray photoemission spectroscopy. Both traditional Perdew-Burke-Ernzerhof and state-of-theart hybrid Heyd-Scuseria-Ernzerhof functionals have been employed to highlight the importance of proper treatment of exchange-dependent Zn 3d states,(More)
Calcined hydrotalcite with or without added metal (Mg(Al)O, Pt/Mg(Al)O and Pt,Sn/Mg(Al)O) have been investigated with in situ X-ray Photoelectron Spectroscopy (XPS) during ethane dehydrogenation experiments. The temperature in the analysis chamber was 450oC and the gas pressure was in the range 0.3 – 1 mbar. Depth profiling of calcined hydrotalcite and(More)
The electronic structures of the two main compounds of the binary zinc antimonides that are stable at room temperature, Zn(1)Sb(1) and β-Zn(4)Sb(3), were probed with x-ray photoelectron spectroscopy. Additionally, electron energy loss measurements and density functional theory calculations are presented. The compounds are found to share a very similar(More)
Band gap variations in thin film structures, across grain boundaries, and in embedded nanoparticles are of increasing interest in the materials science community. As many common experimental techniques for measuring band gaps do not have the spatial resolution needed to observe these variations directly, probe-corrected Scanning Transmission Electron(More)
The transition-metal 3d occupancy of a series of thermoelectric skutterudites is investigated using electron energy-loss spectroscopy. We find that bonding causes an emptying of the 3d states in the binary skutterudites CoP3, CoAs3, CoSb3, and NiP3, while compared to the pure Fe the 3d occupancy in LaFe4P12 is significantly increased, consistent with the(More)
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