Sökning: "transition energies"
Visar resultat 1 - 5 av 156 avhandlingar innehållade orden transition energies.
1. Atomistic simulation and experimental studies of transition metal systems involving carbon and nitrogen
Sammanfattning : The present work was initiated to investigate the stability, structural and thermodynamic properties of transition metal carbides, nitrides and carbo-nitrides by atomistic simulations and experimentations. The interatomic pair potentials of Cr-Cr, Mn-Mn, Fe-Fe, C-C, Cr-C, Mn-C, Fe-C, Cr-Fe, Cr-N and Mn-N were inverted by the lattice inversion method and ab initio cohesive energies, and then employed to investigate the properties of Cr-, Mn- and Fe-carbides by atomistic simulations in this work. LÄS MER
2. Investigations of Transition Metal Systems : Angle-Resolved Photoelectron Spectroscopy at Low and High Energy
Sammanfattning : The work presented in this thesis aims at achieving an increased understanding of the electronic structure of materials whose properties are to a large extent governed by transition metals. All studies are based on data from angle-resolved photoelectron spectroscopy (ARPES) employed on the valence band of the studied systems. LÄS MER
3. Magnetism in Transition Metal Systems : Interplay between structure, dimensionality and electron correlation
Sammanfattning : In this thesis, an ab initio study of electronic structures and magnetic properties of transition metal systems has been presented, covering bulk, interface and surface geometries. Among them are Fe, Co, Ni, CaMnO3, Co2MnSi, a ferromagnetic Heusler alloy, as well as double-perovskites oxides such as Sr3(Fe1.25Ni0.75)O6 and Nd2NiMnO6. LÄS MER
4. Microscopic Properties of Superdeformed Nuclei
Sammanfattning : Many high spin rotational bands in superdeformed nuclei have been found in the A ~ 140-150 region, but so far no linking transitions to known normal-deformed states have been found in these nuclei. Therefore, configuration and spin assignments have to be based on indirect spectroscopic information. LÄS MER
5. Modelling electrooxidation of glycerol and methanol on close-packed transition metal surfaces
Sammanfattning : Burning fossil fuels leads to excess CO2 in the atmosphere, causing global warming, threatening civilisation and ecosystems worldwide. As a step in making the society fossil-independent, we need to replace oil, coal, and gas in the transportation sector with fuels originating from sustainable energy sources. LÄS MER