Search for dissertations about: "LMTO-ASA"

Found 3 swedish dissertations containing the word LMTO-ASA.

  2. 1. Electronic effects at metallic surfaces and interfaces : image-state formation and charge redistribution

    Author : Stella Papadia; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; effective-medium theory; charge redistribution; heat of solution; multiple-reflection; LDA; density-functional theory; image-state; image-potential-induced resonance; LMTO-ASA; exchange-corelation potential; jellium; metallic superlattices;

    Abstract : .... 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. Structure and stability trends in the platinum metal-silicon systems

    Author : Kenneth Göransson; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Chemistry; Transition metal silicides; electronic band structure; monosilicides; FeSi structure type; MnP structure type; Kemi; Chemistry; Kemi; Inorganic Chemistry; oorganisk kemi;

    Abstract : The stability of group 8-10 silicides has been studied by LMTO-ASA band structurecalculations. In the Rh-Si and Ir-Si systems the lowest calculated heat of formation isfound in compounds near the equiatomic composition. READ MORE