Sökning: "DMFT"

Visar resultat 1 - 5 av 18 avhandlingar innehållade ordet DMFT.

  1. 1. First-principles Studies of Local Structure Effects in Magnetic Materials

    Författare :Marcio Costa; Anders Bergman; Uppsala universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; magnetic anisotropy; DMFT; magnetism; DFT; Materialvetenskap; Materials Science;

    Sammanfattning : This thesis focus on the magnetic behavior, from single atoms to bulk materials. The materials considered in this thesis have been studied by computational methods based on ab initio theory, density functional theory (DFT), including treatment of the spin-orbit coupling, non-collinear magnetism, and methods capable of treating discorded systems. LÄS MER

  2. 2. Theoretical Studies of Magnetism and Electron Correlation in Solids

    Författare :Oscar Grånäs; Lars Nordström; Biplab Sanyal; Silke Biermann; Uppsala universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Magnetism; Superconductivity; Electron Correlation; DMFT; DFT; Actinides; multipoles; hidden order; magnetic anisotropy; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Sammanfattning : This work presents new development and applications of ab-initio simulation tools for material science. Focus lies on materials with strong electronic correlation and strong spin-orbit coupling. LÄS MER

  3. 3. Cohesive and Spectroscopic properties of the Lanthanides within the Hubbard I Approximation

    Författare :Inka Laura Marie Locht; Igor Di Marco; Olle Eriksson; Annalisa Fasolino; Mikhail I. Katsnelson; Tim Wehling; Uppsala universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Lantanides; rare earths; cohesive properties; volume; bulk modulus; magnetism; magnetic properties; photoemission spectroscopy; XPS; BIS; Hubbard I Approximation; DMFT; DFT; RSPt; Full Potential Linear Muffin-tin orbitals; 4f electrons; localization; bonding; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Sammanfattning : We describe the rare-earth elements using the Hubbard I approximation. We show that the theory reproduces the cohesive properties, like the volume and bulk modulus, and we find an excellent agreement between theory and experiment for the (inverse) photo emission spectra of the valence band. LÄS MER

  4. 4. Periodized Thermal Greens Functions and Applications

    Författare :Andro Sabashvili; Göteborgs universitet; Göteborgs universitet; Gothenburg University; []
    Nyckelord :condensed matter physics; Greens function; graphene; DMFT; RPA; GW;

    Sammanfattning : This work describes a new formalism for Fermionic thermal Greens functions that are discretized in imaginary time. The discretization makes the thermal Greens function periodic in imaginary (Matsubara) frequency space and requires a generalisation of the Dyson equation and Luttinger-Ward-Baym-Kadanoff functional. LÄS MER

  5. 5. Correlated Electronic Structure of Materials : Development and Application of Dynamical Mean Field Theory

    Författare :Patrik Thunström; Olle Eriksson; Alexander Lichtenstein; Uppsala universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; DFT; DMFT; correlation; entanglement; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Sammanfattning : This thesis is dedicated to the development, implementation and application of a combination of Density Functional Theory and Dynamical Mean Field Theory. The resulting program is shown through several examples to be a powerful and flexible tool for calculating the electronic structure of strongly correlated materials. LÄS MER