Sökning: "molecular magnetism"
Visar resultat 1 - 5 av 39 avhandlingar innehållade orden molecular magnetism.
1. New Materials for Spintronics : Electronic structure and magnetism
Sammanfattning : Materials exhibiting new functionalities due to interdependent electric (e.g. conductivity) and magnetic properties are potentially interesting for spintronics applications. LÄS MER
2. Probing Magnetism at the Atomic Scale: Non-Equilibrium Statistical Mechanics Theoretical Treatise
Sammanfattning : Here, I present a theoretical study, based on non-equilibrium quantum statistical mechanics and on the non-equilibrium extension to the RKKY intveraction,where I investigate the emergence of magnetism at the atomic scale in adsorbed molecular complexes hosting localized spin moments, at the stake of being probed with scanning tunneling microscopy tip, and being driven by a temperature gradient and gated by an electric field. The scanning tunneling microscopy set up is modeled as a molecular junction with a magnetic molecule embedded within it, where the molecule consists in a set of electronic levels resembling the typical s-p orbitals of a metal hydride or an organometal, and a localized spin moment resembling the magnetic unit hosted by the latter and former type of molecules mentioned. LÄS MER
3. Distorted Space and Multipoles in Electronic Structure Calculations
Sammanfattning : This thesis concerns methods for electronic structure calculations and some applications of the methods. The augmented planewave (APW) basis set and it’s relatives LAPW (linearised APW) and APW+lo (local orbitals) have been widely used for electronic structure calculations. LÄS MER
4. Trends in Magnetism : From Strong Correlations to “-onics” Technology
Sammanfattning : Despite of enormous progress in experimental nanophysics theoretical studies of low-dimensional electron systems still remains a challenging task. Indeed, most of the structures are strongly correlated, so that an effective perturbative treatment is impossible due to the lack of a small parameter. LÄS MER
5. Theoretical Studies of Magnetism and Electron Correlation in Solids
Sammanfattning : This work presents new development and applications of ab-initio simulation tools for material science. Focus lies on materials with strong electronic correlation and strong spin-orbit coupling. LÄS MER
