Search for dissertations about: "Lattice"

Showing result 1 - 5 of 552 swedish dissertations containing the word Lattice.

  1. 1. Simulation of lattice defacts im metals

    University dissertation from Stockholm : Fysik

    Author : Mattias Forsblom; [2002]
    Keywords : lattice defect; dislocation; stacking fault; face-centered cubic structure; molecular dynamics; vibrational entropy;

    Abstract : .... READ MORE

  2. 2. Electronic Structure and Lattice Dynamics of Elements and Compounds

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Petros Souvatzis; Uppsala universitet.; [2007]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Atomic and molecular physics; electronic structure; lattice dynamics; first-principles theory; self-consistent lattice dynamical calculation; elasticity; super plasticity; electronic topological transition; equation of state; Atom- och molekylfysik;

    Abstract : The elastic constants of Mg(1-x)AlxB2 have been calculated in the regime 0<x<0.25. The calculations show that the ratio, B/G, between the bulk- and the shear-modulus stays well below the empirical ductility limit, 1. READ MORE

  3. 3. Theoretical studies of lattice- and spin-polarons

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Nina Bondarenko; Olle Eriksson; Natalia Skorodumova; Manuel Pereiro; Maria Roser Valenti Vall; [2018]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Polaron; Nonlinear Schrödinger Equation; Nonlocality; Solitons; Integrable systems; Quantum field theory low energy ; Electron-phonon interaction; Density functional theory; Electronic structure of atoms and molecules; Spin-polaron; Langevin equation; Transport properties; Hubbard model; Heisenberg lattice; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Abstract : Theoretical studies of lattice- and spin-polarons are presented in this thesis, where the primary tool is ab-initio electronic structure calculations. The studies are performed with employment of a variety of analytical and computational methods. READ MORE

  4. 4. Ab initio Lattice Dynamics Hydrogen-dense and Other Materials

    University dissertation from Uppsala : Universitetsbiblioteket

    Author : Duck Young Kim; Rajeev Ahuja; Richard Needs; [2009]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Density functional theory; Density functional perturbation theory; Hydrogen-dense materials; Phase transition; High pressure; Ab initio lattice dynamics; Superconductivity; Quasi-particle approximation; NATURAL SCIENCES Physics; NATURVETENSKAP Fysik;

    Abstract : This thesis presents a theoretical study of materials under high pressure using ab initio lattice dynamics based on density functional theory and density functional perturbation theory using both super-cell and linear response approach.Ab initio lattice dynamics using super-cell approach is applied to compare our theoretical predictions with experimental findings. READ MORE

  5. 5. Electron-lattice dynamics in π-conjugated systems

    University dissertation from Uppsala : Universitetsbiblioteket

    Author : Magnus Hultell (Andersson); Sven Stafström; Alessandro Troisi; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; charge transport; electron-lattice dynamics; polaron; adiabatic transport; electron localization; internal conversion; NATURAL SCIENCES Physics Other physics Computational physics; NATURVETENSKAP Fysik Övrig fysik Beräkningsfysik;

    Abstract : The work presented in this thesis concerns the dynamics in π-conjugated hydrocarbon systems. Due to the molecular bonding structure of these systems there exists a coupling between the electronic system and the phonons of the lattice. READ MORE