Sökning: "electronic structure"
Visar resultat 1 - 5 av 1607 avhandlingar innehållade orden electronic structure.
1. Formation stability and electronic structure of surfaces and interfaces from first principles
Sammanfattning : This thesis deals with two closely interwoven aspects of first-principle(density functional theory) materials modeling:(1)~prediction of atomic structure & chemical composition,and (2)~prediction of electronic properties.In the first part, we focus on atomic structure (AS) and chemical composition (CC) of surface and interface systems. LÄS MER
2. The Electronic Structure of Organic Molecular Materials Theoretical and Spectroscopic Investigations
Detta är en avhandling från Uppsala : Uppsala University, Department of Physics and AstronomySammanfattning : In the present thesis the electronic properties of two organic molecules were studied by means of density functional theory (DFT) in connection to their possible applications in organic photovoltaics and molecular spintronics respectively.The first analysed system is the C60 derivative PCBM extensively used in polymer solar cells for the charge separation process. LÄS MER
3. Photoelectron Spectroscopy on Atoms, Molecules and Clusters The Geometric and Electronic Structure Studied by Synchrotron Radiation and Lasers
Detta är en avhandling från Uppsala : Acta Universitatis UpsaliensisSammanfattning : 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
4. New Materials for Spintronics Electronic structure and magnetism
Detta är en avhandling från Uppsala : Acta Universitatis UpsaliensisSammanfattning : Materials exhibiting new functionalities due to interdependent electric (e.g. conductivity) and magnetic properties are potentially interesting for spintronics applications. LÄS MER
5. Electronic Structure and Lattice Dynamics of Elements and Compounds
Detta är en avhandling från Uppsala : Acta Universitatis UpsaliensisSammanfattning : The elastic constants of Mg(1-x)AlxB2 have been calculated in the regime 0<x<0.25. The calculations show that the ratio, B/G, between the bulk- and the shear-modulus stays well below the empirical ductility limit, 1. LÄS MER
