Sökning: "dynamical mean field theory DMFT"

Visar resultat 1 - 5 av 11 avhandlingar innehållade orden dynamical mean field theory DMFT.

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

    Författare :Patrik Thunström; Olle Eriksson; Alexander Lichtenstein; Uppsala universitet; []
    Nyckelord :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

  3. 2. Theoretical and Computational Studies of Strongly Correlated Electron Systems : Dynamical Mean Field Theory, X-ray Absorption Spectroscopy and Analytical Continuation

    Författare :Johan Schött; Olle Eriksson; Igor Di Marco; Oscar Grånäs; Patrik Thunström; Tim Wehling; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Sammanfattning : This thesis encompasses theoretical and computational studies of strongly correlated elec-tron systems. Understanding how electrons in solids interact with each other is of great im-portance for future technology and other applications. LÄS MER

  4. 3. Unifying first-principles and model approaches for strongly correlated materials : Interplay between long- and short-range correlations

    Författare :Fredrik Nilsson; Matematisk fysik; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; first-principle methods; strongly correlated materials; GW approximation; cRPA; random-phase approximation; dynamical mean-field theory; GW DMFT; downfolding;

    Sammanfattning : In materials with open 3$d$ and 4$f$ shells the valence electrons are relatively localized around the atoms which leads to large electron-electron correlations. These, so called strongly correlated materials, exhibit many intriguing properties such as high $T_c$ superconductivity, colossal magneto-resistance and heavy fermion behaviour. LÄS MER

  5. 4. 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

  7. 5. 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 :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