Search for dissertations about: "local density approximation"

Showing result 6 - 10 of 59 swedish dissertations containing the words local density approximation.

  2. 6. Calculations of electronic properties of metal clusters, fullerenes and molecules adsorbed on surfaces

    Author : Bo Wästberg; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; inverse photoemission; fullerenes; photoionisation; local density approximation; multiple scattering; shape resonances; x-ray absorption near-edge structure; chemisorption; clusters;

    Abstract : .... READ MORE

  4. 7. Density Functional Theory Applied to Materials for Spintronics

    Author : Diana Mihaela Iusan; Olle Eriksson; Biplab Sanyal; Hiroshi Katayama-Yoshida; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; spintronics; dilute magnetic semiconductors; density functional theory; exchange interactions; magnetic percolation; ordering temperature; disorder; electronic structure; Physics; Fysik; Materialvetenskap; Materials Science;

    Abstract : The properties of dilute magnetic semiconductors have been studied by combined ab initio, Monte Carlo, and experimental techniques. This class of materials could be very important for future spintronic devices, that offer enriched functionality by making use of both the spin and the charge of the electrons. READ MORE

  5. 8. Giant Dipole Resonances as Probes of Local Environment in Molecules, Clusters and Solidsl

    Author : Jarek Luberek; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; single center; photoionization; fullerene; coupled channels; LDA; giant dipole resonance; embedded; time-dependent local density;

    Abstract : In this thesis, I study effects of the local environment on the giant dipole resonances (GDR) in lanthanides and actinides. The effects of embedding in jellium, bonding in small molecules and incorporation into different fullerene systems are studied. READ MORE

  6. 9. Electronic states of adsorbates and insulating overlayers on metal surfaces

    Author : Fredrik Olsson; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Shockley surface states; local density of states; scanning tunneling microscope; chemisorption; sodium chloride; noble metals; image states; electronic states; density functional theory;

    Abstract : Electronic states of adsorbates and insulating overlayers provide a wealth of scientifically interesting phenomena with great technological importance. Interesting phenomena arise, for example, from the interaction of electronic states of an adsorbate with the continuum of metal electron states, both propagating bulk states and surface states. READ MORE

  7. 10. Application of cluster calculations for the interpretation of electron and ion emission from ionic crystals

    Author : Erik Westin; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; local density approximation LDA ; laser induced desorption; alkaline-earth halogens; surface states; ionic crystals; electronic structure;

    Abstract : .... READ MORE