Sökning: "electronic density of states"

Visar resultat 1 - 5 av 162 avhandlingar innehållade orden electronic density of states.

1. 1. Electronic states of adsorbates and insulating overlayers on metal surfaces

   Författare :Fredrik Olsson; Chalmers University of Technology; []
   Nyckelord :Shockley surface states; local density of states; scanning tunneling microscope; chemisorption; sodium chloride; noble metals; image states; electronic states; density functional theory;

   Sammanfattning : Electronic states of adsorbates and insulating overlayers provide a wealth of scientifically interesting phenomena with great technological importance. Interesting phenomena arise, for example, from the interaction of electronic states of an adsorbate with the continuum of metal electron states, both propagating bulk states and surface states. LÄS MER

3. 2. Reactivity of Transition-Metal Compounds from Electronic Structure

   Författare :Aleksandra Vojvodic; Chalmers University of Technology; []
   Nyckelord :NATURVETENSKAP; TEKNIK OCH TEKNOLOGIER; NATURAL SCIENCES; ENGINEERING AND TECHNOLOGY; magnetic edge states; electronic structure; density-functional theory; growth; surface states and resonances; nitrides; density of states; hydrodesulphurisation; sulphides; steam reforming; transition-metal carbides; Bronsted-Evans Polanyi relation; scaling relations; adsorption; descriptor; reactivity; catalysis;

   Sammanfattning : Transition-metal carbides (TMC's), nitrides, and sulfides belong to the class of materials known as transition-metal compounds (TMX's). Besides having intriguing properties, these materials are relevant for, e.g., growth and catalysis. LÄS MER

4. 3. Correlated Electronic Structure of Materials : Development and Application of Dynamical Mean Field Theory

   Författare :Patrik Thunström; Olle Eriksson; Alexander Lichtenstein; Uppsala universitet; []
   Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; 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

5. 4. In pursuit of next generation photovoltaics : An electronic structure study of emerging solar cell materials

   Författare :Axel Erbing; Michael Odelius; David Scanlon; Stockholms universitet; []
   Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Solar cells; computational physics; density functional theory; electronic structure; molecular dynamics; Solceller; beräkningsfysik; täthetsfunktionalteori; elektronstruktur; molekyldynamik; Theoretical Physics; teoretisk fysik;

   Sammanfattning : The development of a new generation of photovoltaic technologies is an important task in order to increase the production of clean energy. Perovskite solar cells, with an exceptionally rapid development over the last decade, have transformed into perhaps the most promising candidate to provide a low-cost alternative to conventional cells. LÄS MER

7. 5. Robust Platforms for Superconductivity : Disorder Robustness and Topological Density of States Peaks

   Författare :Tomas Löthman; Annica M. Black-Schaffer; Carsten Honerkamp; Uppsala universitet; []
   Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Superconductivity; Odd-Frequency Superconductivity; Nematic superconductivity; Topological Phases of Matter; Flat bands; Van Hove Singularity; Graphene; Twisted Bilayer Graphene; Rhombohedral graphite; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

   Sammanfattning : We explore the connection between robust material platforms for superconductivity and the modern condensed matter physics paradigms of two-dimensional materials, topological states of matter, and odd-frequency superconductivity. Specifically, the recent discoveries of gapless topological matter and truly two-dimensional materials with graphene have greatly expanded the class of materials for which topology produces large, robust, even singular, density of states (DOS) peaks in the electronic structure that in turn are highly susceptible to new ordered states of matter, including superconductivity. LÄS MER