Date of Award
Doctor of Philosophy
The electronic structures of cubic WO(,3) and NaWO(,3) have been calculated by using the Korringa-Kohn-Rostoker method. The result that these structures are nearly identical demonstrates that the rigid band model will be valid for different sodium concentrations. Calculations of the NaWO(,3) density of states and Fermi surface are compared with the results of recent X-ray photoemission and inelastic neutron scattering measurements. To determine the character of the electronic states that form the valence and lowest conduction bands, the density of states is decomposed into its s, p, and d contributions from each atomic site. For this purpose a novel technique has been developed;*USERDA Report IS-T-781. This work was performed under Contract-W-7405-eng-82 with the Energy Research and Development Administration.
Digital Repository @ Iowa State University, http://lib.dr.iastate.edu/
Kopp, Lawrence, "KKR calculation of the electronic structure of cubic WO3 and NaWO3 " (1981). Retrospective Theses and Dissertations. 7184.