Sökning: "linear muffin tin orbitals LMTO"

Hittade 2 avhandlingar innehållade orden linear muffin tin orbitals LMTO.

  1. 1. Theoretical methods for the electronic structure and magnetism of strongly correlated materials

    Författare :Inka L. M. Locht; Igor Di Marco; Silke Biermann; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; dynamical mean field theory DMFT ; Hubbard I approximation; strongly correlated systems; rare earths; lanthanides; photoemission spectra; ultrafast magnetization dynamics; analytic continuation; Padé approximant method; two-particle Green s functions; linear muffin tin orbitals LMTO ; density functional theory DFT ; cerium; stacking fault energy.; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Sammanfattning : In this work we study the interesting physics of the rare earths, and the microscopic state after ultrafast magnetization dynamics in iron. Moreover, this work covers the development, examination and application of several methods used in solid state physics. The first and the last part are related to strongly correlated electrons. LÄS MER

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

    Författare :Ramon Cardias Alves de Almeida; Olle Eriksson; Anders Bergman; Attila Szilva; R. B. Muniz; Uppsala universitet; []
    Nyckelord :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;

    Sammanfattning : 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. LÄS MER