Sökning: "calculations"

Visar resultat 16 - 20 av 2396 avhandlingar innehållade ordet calculations.

  1. 16. Electronic Structure Calculations of Point Defects in Semiconductors

    Författare :Andreas Höglund; Susanne Mirbt; Alison Mainwood; Uppsala universitet; []
    Nyckelord :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;

    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

  3. 17. Total-energy calculations with the effective-medium theory

    Författare :Uno Yxklinten; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; oxygen; subsurface site; total-energy calculations; force-dipole tensor; effective-medium theory; elastic properties; hydrogen; chemisorption; three-fold site; magnesium; adsorbate; aluminium;

    Sammanfattning : .... LÄS MER

  4. 18. Electronic Structure Calculations: Materials with Weak and Strong Correlations

    Författare :Krister Karlsson; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; photoemission spectroscopy; band structure calculations;

    Sammanfattning : This thesis is devoted to studies of various electronic properties which can be extracted from photoemission spectroscopy. Both weakly and strongly correlated systems are discussed, ranging from free electron metal surfaces to strongly correlated copper oxide compounds. LÄS MER

  5. 19. Surface Vibrational and Electron Spectroscopy - Experiments and first-principle calculations

    Författare :Martin Andersson; Kemisk fysik; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; gränsskikt; anharmonicity; Ytkemi; Surface and boundary layery chemistry; adsorbates; metal surface; density functional theory; first-principle calculations; electron spectroscopy; reflection-absorption infrared spectroscopy; vibrational spectroscpy;

    Sammanfattning : This work deals with interpretation of experimental surface spectroscopic data with the aid of first-principle calculations. Surface infrared reflection-absorption spectra as well as spectra from the electron spectroscopic methods photoemission and X-ray absorption are considered. LÄS MER

  7. 20. Symbolic computer calculations in general relativity

    Författare :Jan E. Åman; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : This report describes programs for symbolic computer calculations in General Relativity and results obtained by such programs. A perturbation calculation to obtain an approximate geometry from a given physically acceptable distribution of matter is presented. A program for classifying solutions of Einstein's field equations is presented. LÄS MER