Sökning: "Susanne Mirbt"

Visar resultat 1 - 5 av 9 avhandlingar innehållade orden Susanne Mirbt.

  1. 1. Magnetic properties of transition metal interfaces

    Författare :Susanne Mirbt; Uppsala universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP;

    Sammanfattning : .... LÄS MER

  2. 2. Distorted Space and Multipoles in Electronic Structure Calculations

    Författare :Fredrik Bultmark; Lars Nordström; Susanne Mirbt; Olle Eriksson; Sergej Savrasov; Uppsala universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Physics; materials science; condensed matter theory; density functional theory; Magnetism; Atomic and molecular physics; Atom- och molekylfysik;

    Sammanfattning : This thesis concerns methods for electronic structure calculations and some applications of the methods. The augmented planewave (APW) basis set and it’s relatives LAPW (linearised APW) and APW+lo (local orbitals) have been widely used for electronic structure calculations. LÄS MER

  3. 3. Theoretical Investigations of Two-Dimensional Materials : Studies on Electronic, Magnetic, Mechanical, and Thermal Properties

    Författare :Xin Chen; Biplab Sanyal; Susanne Mirbt; Kristian Sommer Thygsen; Uppsala universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; 2D materials; DFT; Structure search; Functional materials; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Sammanfattning : Two-dimensional (2D) materials have been paid enormous attention since the first realization of graphene in 2004, in connection to high-speed flexible electronics, 2D magnetism, optoelectronics, and so on. Apart from graphene, many new 2D materials with special properties have been predicted and synthesized. LÄS MER

  4. 4. Electronic Transport in Strained Materials

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

    Sammanfattning : 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. LÄS MER

  5. 5. Electronic Structure Calculations of Point Defects in Semiconductors

    Författare :Andreas Höglund; Susanne Mirbt; Alison Mainwood; Uppsala universitet; []
    Nyckelord :Physics; electronic structure calculations; point defects; semiconductor; formation energy; equilibrium solubility limit; thermodynamic equilibrium concentration; transfer levels; negative-U; 110 surface; diffusion; activation energy; solar cells; Fysik;

    Sammanfattning : In this thesis point defects in semiconductors are studied by electronic structure calculations. Results are presented for the stability and equilibrium concentrations of native defects in GaP, InP, InAs, and InSb, for the entire range of doping conditions and stoichiometry. LÄS MER