Sökning: "Electronic-structure"
Visar resultat 16 - 20 av 450 avhandlingar innehållade ordet Electronic-structure.
16. A Theoretical Treatise on the Electronic Structure of Designer Hard Materials
Sammanfattning : The subject of the present thesis is theoretical first principles electronic structure calculations on designer hard materials such as the transition metal carbides and oxides. The theoretical investigations have been made in close collaboration with experimental research and have addressed both bulk electronic properties and surface electronic properties of the materials. LÄS MER
17. Parallelization of dynamic algorithms for electronic structure calculations
Sammanfattning : The aim of electronic structure calculations is to simulate behavior of complex materials by resolving interactions between electrons and nuclei in atoms at the level of quantum mechanics. Progress in the field allows to reduce the computational complexity of the solution methods to linear so that the computational time scales proportionally to the size of the physical system. LÄS MER
18. Electronic Structure Calculations of Point Defects in Semiconductors
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
19. Photoelectron Spectroscopy on Atoms, Molecules and Clusters : The Geometric and Electronic Structure Studied by Synchrotron Radiation and Lasers
Sammanfattning : Atoms, molecules and clusters all constitute building blocks of macroscopic matter. Therefore, understanding the electronic and geometrical properties of such systems is the key to understanding the properties of solid state objects. LÄS MER
20. Lateral Superlattices in Commensurate Magnetic Fields: Electronic Structure, Transport and Optical Properties
Sammanfattning : The present thesis is devoted to the theoretical study of two-dimensional electron systems moving in a modulated lateral periodic potential and a competing perpendicular magnetic field. The three introductory chapters offer a brief exposition of the basic issues in this area -- the description of the electron motion in a prependicular magnetic field, the group of magnetic translations and the commensurability phenomena -- at an elementary level. LÄS MER