Sökning: "Susanne Mirbt"
Visar resultat 6 - 10 av 10 avhandlingar innehållade orden Susanne Mirbt.
6. Electronic Structure Calculations of Point Defects in Semiconductors
Sammanfattning : In this thesis point defects in semiconductors are studied by electronic structure calculations. Results are presented for the stability and equilibrium concentrations of native defects in GaP, InP, InAs, and InSb, for the entire range of doping conditions and stoichiometry. LÄS MER
7. Defects and Impurities in CdTe : An ab Initio Study
Sammanfattning : In this thesis defects and impurities in CdTe have been studied with ab initio methods. CdTe is a II-VI semiconductor with many important applications such as γ- and X-ray detectors, solar cells and medical imaging. LÄS MER
8. Electronic Transport in Materials
Sammanfattning : Transport properties within the Boltzmann transport equation for metallic multi-layer structures as well as bulk materials, were the prime topic of this work. Ab initio total energy calculations for Hydrogen loaded metallic multi-layers were performed in order to shed some light onto problem of H depleted layers at the interfaces that have been experimentally observed. LÄS MER
9. A Theoretical Study of Piezoelectricity, Phase Stability, and Surface Diffusion in Disordered Multicomponent Nitrides
Sammanfattning : Disordered multicomponent nitride thin film can be used for various applications. The focus of this Licentiate Thesis lies on the theoretical study of piezoelectric properties, phase stability and surface diffusion in multifunctional hard coating nitrides using density functional theory (DFT). LÄS MER
10. First Principles Modelling of Clean Energy Materials
Sammanfattning : This licentiate thesis presents the density functional theory study on clean energy materials relevant for catalysis applications, and for solid oxide fuel cells.In the first part of the thesis the metal supported ultrathin films, namely ScN/Mo, MgO/Mo and NaF/Mo are considered, and the Cu atom adsorption and charging on them is explored. LÄS MER