Search for dissertations about: "electronic structure"

Showing result 21 - 25 of 1525 swedish dissertations containing the words electronic structure.

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

    Author : Patrik Thunström; Olle Eriksson; Alexander Lichtenstein; Uppsala universitet; []
    Keywords : 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;

    Abstract : 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. READ MORE

  4. 22. Electronic Transport in Strained Materials

    Author : Thomas Dziekan; Susanne Mirbt; Olle Eriksson; Per Hyldgaard; Uppsala universitet; []
    Keywords : Physics; Conductivity; Strain; Transport; Boltzmann theory; Transition metal; Hydrogen loading; Electronic structure; Density functional theory; Bulk material; Multilayer; Fysik;

    Abstract : In this thesis the conductivity of strained materials has been investigated using density functional theory and a semiclassical transport theory based on the Boltzmann equation.In transition metals trends are reproduced without adjustable parameters. READ MORE

  5. 23. Electronic structure of semiconductor surfaces : reconstructions and surface reactions

    Author : Magnus Björkqvist; KTH; []
    Keywords : ;

    Abstract : .... READ MORE

  6. 24. On the role of the electron-electron interaction in two-dimensional quantum dots and rings

    Author : Erik Waltersson; Eva Lindroth; Stephanie Reimann; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; quantum dot; quantum ring; quantum dot molecule; electronic structure; two-dimensional; many-body physics; many-body perturbation theory; coupled cluster; coupled cluster singles and doubles; quantum logical gates; quantum computing; quantum control; quantum control algorithm; Electronic structure; Elektronstruktur; fysik; Physics;

    Abstract : Many-Body Perturbation Theory is put to test as a method for reliable calculations of the electron-electron interaction in two-dimensional quantum dots. We show that second order correlation gives qualitative agreement with experiments on a level which was not found within the Hartree-Fock description. READ MORE

  7. 25. Structure and energetics of kappa alumina (-Al2O3) calculated from first principles

    Author : Yashar Yourdshahyan; Chalmers tekniska högskola; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; electronic properties; structure; plane-waves; local-density-approximation; stability; ceramics materials; Al2O3 K-phase; pseudopotentials; density-functional theory;

    Abstract : .... READ MORE