Sökning: "Igor Abrikosov"

Visar resultat 16 - 20 av 26 avhandlingar innehållade orden Igor Abrikosov.

1. 16. Theoretical Description of the Electron-Lattice Interaction in Molecular and Magnetic Crystals

   Författare :Elham Mozafari; Igor A. Abrikosov; Sven Stafström; George Malcolm Stocks; Linköpings universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Molecular crystals; Charge transport; Polaron; Magnetic materials; Paramagnetic state; Molecular dynamics;

   Sammanfattning : 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. LÄS MER

3. 17. Influence of Global Composition and Local Environment on the Spectroscopic and Magnetic Properties of Metallic Alloys

   Författare :Weine Olovsson; Igor A. Abrikosov; G. Malcolm Stocks; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Physics; core level shift; random alloy; first principles simulations; density functional theory; auger kinetic energy; Invar alloys; exchange parameter; classical Heisenberg Hamiltonian; complete screening; transition state; disorder broadening; Fysik; Physics; Fysik;

   Sammanfattning : 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). LÄS MER

4. 18. Ab Initio Simulations of Transition Metal Alloys: Towards the Multiscale Modeling

   Författare :Leonid Pourovskii; Igor Abrikosov; Bruce Harmon; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Physics; first principles simulations; transition metal alloys; surface segregations; fully-relativistic method; Monte Carlo method; Fysik; Physics; Fysik; fysik; Physics;

   Sammanfattning : 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. LÄS MER

5. 19. Tailoring Properties of Materials at the Nanoscale

   Författare :Hossein Raanaei; Björgvin Hjörvarsson; Igor A. Abrikosov; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Multilayers; magnetic anysotropy; amorphous materials; Magnetism; Magnetism; Materiefysik; Physics of Matter;

   Sammanfattning : 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. LÄS MER

7. 20. Vibrations in solids : From first principles lattice dynamics to high temperature phase stability

   Författare :Nina Shulumba; Magnus Odén; Igor Abrikosov; Frank Mücklich; Matteo Calandra; Linköpings universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

   Sammanfattning : 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. LÄS MER