Electronic structure and bonding in thermoelectric skutterudites
Appears in the following Collection
- Fysisk institutt 
AbstractThe present work is a study of the electronic structure and bonding of the class of materials often called skutterudites. These materials have received much attention during the past decade, largely because their thermoelectric properties are rather easily modified and improved. Most investigations have been into synthesizing materials and measuring their thermoelectric properties. There have also been several theoretical studies of their electronic structure. However, there have been fewer experimental studies of the bonding of these materials. In this thesis, electron energy-loss spectroscopy and x-ray photoelectron and Auger spectroscopy have been used together with density functional calculations to study the electronic structure of skutterudites. This combination of experimental and theoretical methods may be mutually beneficial, and the aim of this thesis is to bridge the gap between theoretical considerations and experimental investigations of the bonding.
Paper I O. M. Løvvik and Ø. Prytz Density-functional band-structure calculations for La-, Y-, and Sc-filled CoP3-based skutterudite structures. Physical Review B 70, 195119 (2004) Physical Review B 70, 195119 (2004)
Paper II Ø. Prytz, O. M. Løvvik, and J. Taftø Comparison of theoretical and experimental dielectric functions: electron energy-loss spectroscopy and density-functional calculations on skutterudites. Physical Review B 74, 245109 (2006) Physical Review B 74, 245109 (2006)
Paper III Ø. Prytz, J. Taftø, C. C. Ahn, and B. Fultz Transition metal d-band occupancy in skutterudites studied by Electron Energy-Loss Spectroscopy. Physical Review B 75, 125109 (2007) Physical Review B 75, 125109 (2007)
Paper IV S. Diplas, Ø. Prytz, O. B. Karlsen, J. F. Watts, and J. Taftø A quantitative study of valence electron transfer in the skutterudite compound CoP3 by combining x-ray induced Auger and photoelectron spectroscopy. Journal of Physics: Condensed Matter 19, 246216 (2007) Journal of Physics: Condensed Matter 19, 246216 (2007)