Search for dissertations about: "Susanne Mirbt"

Showing result 6 - 10 of 10 swedish dissertations containing the words Susanne Mirbt.

  2. 6. Electronic Structure Calculations of Point Defects in Semiconductors

    Author : Andreas Höglund; Susanne Mirbt; Alison Mainwood; Uppsala universitet; []
    Keywords : Physics; electronic structure calculations; point defects; semiconductor; formation energy; equilibrium solubility limit; thermodynamic equilibrium concentration; transfer levels; negative-U; 110 surface; diffusion; activation energy; solar cells; Fysik;

    Abstract : 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. READ MORE

  4. 7. Defects and Impurities in CdTe : An ab Initio Study

    Author : Anna Lindström; Mattias Klintenerg; Susanne Mirbt; Biplab Sanyal; Peter Zahn; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Native defects; Compensation mechanisms; Semiconductor doping; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Abstract : 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. READ MORE

  5. 8. Electronic Transport in Materials

    Author : Velimir Meded; Susanne Mirbt; Ingrid Mertig; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Physics; Electronic Structure; Ab initio; Condensed Matter Theory; Hydrogen; Boltzmann Transport Equation; Magnetism; Alloys; Fysik; Physics; Fysik;

    Abstract : 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. READ MORE

  6. 9. A Theoretical Study of Piezoelectricity, Phase Stability, and Surface Diffusion in Disordered Multicomponent Nitrides

    Author : Christopher Tholander; Björn Alling; Ferenc Tasnádi; Lars Hultman; Susanne Mirbt; Linköpings universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Piezoelectricity; phase stability; surface diffusion; disordered multicomponent nitrides;

    Abstract : 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). READ MORE

  7. 10. First Principles Modelling of Clean Energy Materials

    Author : Pjotrs Žguns; Natalia Skorodumova; Andrei Ruban; Susanne Mirbt; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; DFT; energy; catalysis; ionic conductors; SOFC; adatom charging; anharmonicity; configurational energy; Materials Science and Engineering; Teknisk materialvetenskap;

    Abstract : 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. READ MORE