Search for dissertations about: "atomic defects"

Showing result 1 - 5 of 87 swedish dissertations containing the words atomic defects.

  2. 1. 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

  4. 2. Multiscale modeling of atomic transport phenomena in ferritic steels

    Author : Luca Messina; Pär Olsson; Nils Sandberg; Pål Efsing; Pascal Bellon; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; diffusion; impurities; iron; metals; kinetic Monte Carlo; ab initio; mean field; defects; embrittlement; reactor pressure vessel; neural networks; Fysik; Physics;

    Abstract : Defect-driven transport of impurities plays a key role in the microstructure evolution of alloys, and has a great impact on the mechanical properties at the macroscopic scale. This phenomenon is greatly enhanced in irradiated materials because of the large amount of radiation-induced crystal defects (vacancies and interstitials). READ MORE

  5. 3. Atomistic simulations of lattice defects

    Author : Mattias Forsblom; Grimvall Göran; Kai Nordlund; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Theoretical physics; Teoretisk fysik; Physics; Fysik;

    Abstract : Mechanical properties of solids are governed by crystal imperfections. Computational materials science is largely concerned with the modelling of such defects, e.g. their formation, migration, and interaction energies. READ MORE

  6. 4. Scanning probe techniques as an investigation tool for semiconductor nanostructures and devices

    Author : Jovana Colvin; NanoLund: Centre for Nanoscience; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; III-V semiconductors; AFM; STM; KPM; SCM; c-AFM; Crystal growth; Doping; Defects;

    Abstract : Semiconductor nanostructure based devices provide new opportunities for contributing to a sustainable energy usage. This includes harvesting of energy (solar cells) and saving of energy, e.g. in lighting (light-emitting diodes, LEDs) and transfer of energy (power devices). READ MORE

  7. 5. Surface Reactivity and Electronic Structure of Metal Oxides

    Author : Anneli Önsten; Ulf Karlsson; Anne Borg; KTH; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; oxides; surfaces; defects; cuprous oxide; zinc oxide; magnetite; water; OH; sulfur dioxide; photoelectron spectroscopy; scanning tunneling microscopy; Material physics with surface physics; Materialfysik med ytfysik;

    Abstract : The foci of this thesis are the metal oxides Cu2O, ZnO and Fe3O4 and their interaction with water and sulfur dioxide (SO2). The intention is to study SO2-induced atmospheric corrosion on a molecular level. All studies are based on photoelectron spectroscopy (PES) and scanning tunneling microscopy (STM) measurements. READ MORE