Sökning: "4f electrons"

Visar resultat 1 - 5 av 7 avhandlingar innehållade orden 4f electrons.

  1. 1. 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

  3. 2. Oxygen Vacancy Chemistry in Ceria

    Författare :Jolla Kullgren; Kersti Hermansson; Shluger Alex; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Ceria; Density Functional Theory; Oxygen storage; Nano crystals; Sulfur poisoning; Chemistry with specialization in Inorganic Chemistry; Kemi med inriktning mot oorganisk kemi;

    Sammanfattning : Cerium(IV) oxide (CeO2), ceria, is an active metal oxide used in solid oxide fuel cells and for the purification of exhaust gases in vehicle emissions control. Behind these technically important applications of ceria lies one overriding feature, namely ceria's exceptional reduction-oxidation properties. LÄS MER

  4. 3. Quantum computing with naturally trapped sub-nanometre-spaced ions

    Författare :Lars Rippe; Atomfysik; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Laserteknik; Laser technology; Atom- och molekylärfysik; Atomic and molecular physics; akustik; optik; Elektromagnetism; optics; acoustics; Electromagnetism; Fysik; Physics; entanglement; spectroscopy; rare-earth-metal-ion-doped crystals spectral hole-burning; inversion; excitation; laser stabilization; quantum computation; quantum gate;

    Sammanfattning : The main aim of this work, was to lay the foundations for the experimental realisation of a quantum mechanical controlled NOT gate in rare-earth-metal-ion-doped crystals. Small amounts of rare-earth elements, added during the growth of some inorganic crystals, will become substituted into the crystal lattice as trivalent ions. LÄS MER

  5. 4. Towards Single-Ion Detection and Single-Photon Storage in Rare-Earth-Ion-Doped Crystals

    Författare :Mohammed Alqedra; NanoLund: Centre for Nanoscience; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Single-ion detection; microcavities; quantum memory; rare-earth-ion-doped crystals; Fysicumarkivet A:2022:Alqedra;

    Sammanfattning : Solid materials doped with rare-earth ions are considered an attractive platform for quantum information applications. One of the main reasons for this is the exceptionally long optical and hyperfine coherence times of the 4fn states, due to the shielding provided by the outer lying 5s and 5p electrons. LÄS MER

  7. 5. 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