Search for dissertations about: "Igor Abrikosov"
Showing result 16 - 20 of 26 swedish dissertations containing the words Igor Abrikosov.
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16. Theoretical Description of the Electron-Lattice Interaction in Molecular and Magnetic Crystals
Abstract : Electron-lattice interactions are often considered not to play a major role in material's properties as they are assumed to be small, the second-order effects. However, this study shows the importance of taking these effects into account in the simulations. READ MORE
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17. Influence of Global Composition and Local Environment on the Spectroscopic and Magnetic Properties of Metallic Alloys
Abstract : Theoretical investigations of spectroscopic and magnetic properties of metallic systems in the bulk, as well as in nanostructured materials, have been performed within the density functional theory. The major part of the present work studies the differences between binding energies of electrons tightly bound to the atoms, the so-called core electrons (in contrast with the valence electrons), that is, core-level binding energy shift (CLS). READ MORE
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18. Ab Initio Simulations of Transition Metal Alloys: Towards the Multiscale Modeling
Abstract : The present thesis concerns applications of first principles electronic structure calculations in conjunction with methods of statistical mechanics for simulations of transition metal alloys both in the bulk and at surfaces.A fully relativistic generalization of the exact muffin-tin orbitals (EMTO) method has been developed. READ MORE
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19. Tailoring Properties of Materials at the Nanoscale
Abstract : The knowledge of growth and characterizing techniques is essential for the preparation of high quality thin films and multilayers. Here, structural properties have been investigated by X-ray reflectivity, X-ray diffraction, and transmission electron microscopy while the composition was determined by Rutherford backscattering spectrometry. READ MORE
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20. Vibrations in solids : From first principles lattice dynamics to high temperature phase stability
Abstract : In this thesis I introduce a new method for calculating the temperature dependent vibrational contribution to the free energy of a substitutionally disordered alloy that accounts for anharmonicity at high temperatures. This method exploits the underlying crystal symmetries in an alloy to make the calculations tractable. READ MORE