Search for dissertations about: "linear muffin-tin orbital method"

Showing result 1 - 5 of 7 swedish dissertations containing the words linear muffin-tin orbital method.

  2. 1. A Theoretical Study of Magnetism in Nanostructured Materials

    Author : Anders Bergman; Olle Eriksson; Lars Nordström; Hugues Dreysse; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Physics; magnetism; clusters; non-collinear; multilayers; first-principles theory; electronic structure; high-moment materials; exchange interactions; linear scaling methods; Fysik;

    Abstract : A first-principles linear scaling real-space method for investigating non-collinear magnetic behaviour of nanostructured materials has been developed. With this method, the magnetic structures of small supported transition metal clusters have been examined. READ MORE

  4. 2. Electronic structure and exchange interactions from ab initio theory : New perspectives and implementations

    Author : Ramon Cardias Alves de Almeida; Olle Eriksson; Anders Bergman; Attila Szilva; R. B. Muniz; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; ab initio; exchange interactions; non-collinear magnetism; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Abstract : In this thesis, the magnetic properties of several materials were investigated using first principle calculations. The ab initio method named real space linear muffin-tin orbitals atomic sphere approximation (RS-LMTO-ASA) was used to calculate the electronic structure and magnetic properties of bulk systems, surface and nanostructures adsorbed on surfaces. READ MORE

  5. 3. Magnetic and Structural Properties of f-electron Systems from First Principles Theory

    Author : Torbjörn Björkman; Olle Eriksson; Thomas Schulthess; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Physics; Fysik; Materialvetenskap; Materials Science;

    Abstract : A series of studies of f-electron systems based on density functional theory methods have been performed.  The focus of the studies has been on magnetic and structural properties, as well as investigating ways to handle strong electron correlation in these systems. READ MORE

  6. 4. Calculation of magnetism and its crystal structure dependence

    Author : Peter James; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Physics; Fysik; Physics; Fysik; fysik; Physics;

    Abstract : The subject of the present thesis is a theoretical investigation of magnetism and its crystal structure dependence by means of electronic-structure calculations from first principles. The theoretical treatment is based on density functional theory and the so called linear muffin-tin orbital method is used in its full-potential version as well as in an atomic sphere approximation. READ MORE

  7. 5. Calculations of electronic structures with applications to transport properties and to low energy electron diffraction

    Author : Jesper Neve; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES;

    Abstract : The content of this thesis can be divided into two topics. The first topic is the calculation of the electronic structure of solids and clusters within the local density approximation. READ MORE