Sökning: "Electronic-structure"

Visar resultat 11 - 15 av 451 avhandlingar innehållade ordet Electronic-structure.

  1. 11. First Principles Calculations of Electron Transport and Structural Damage by Intense Irradiation

    Författare :Carlos Ortiz; Olle Eriksson; Mattias Klintenberg; Richard A. London; Uppsala universitet; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; Condense matter theory; electronic structure; quasiparticles; GW theory; molecular dynamics; Boltzmann transport; electron transport; impact ionization; structural damage; dielectric response; structural biology; radiation detectors; scintillators; positron emission tommography; Electronic structure; Elektronstruktur; Semiconductor physics; Halvledarfysik; Biological physics; Biologisk fysik; Critical phenomena phase transitions ; Kritiska fenomen fasövergångar ; Functional materials; Funktionella material; Materiefysik; Physics of Matter;

    Sammanfattning : First principle electronic structure theory is used to describe the effect of crystal binding on radiation detectors, electron transport properties, and structural damage induced by intense irradiation. A large database containing general electronic structure results to which data mining algorithms can be applied in the search for new functional materials, a case study is presented for scintillator detector materials. LÄS MER

  3. 12. 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

  4. 13. Probing molecular adsorbates with core level spectroscopies : Electronic structure and bonding models

    Författare :Alexander Föhlisch; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Physics; Fysik; Physics; Fysik; fysik; Physics;

    Sammanfattning : Resonantly excited X-ray emission spectroscopy has been applied to study the valence electronic structure of molecular adsorbates in an atom specific and orbital symmetry selective manner. In combination with ab initio cluster calculations, electronic structure and bonding models have been derived. LÄS MER

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

    Författare :Magnus Björkqvist; KTH; []
    Nyckelord :;

    Sammanfattning : .... LÄS MER

  7. 15. On the role of the electron-electron interaction in two-dimensional quantum dots and rings

    Författare :Erik Waltersson; Eva Lindroth; Stephanie Reimann; Stockholms universitet; []
    Nyckelord :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;

    Sammanfattning : 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. LÄS MER