Search for dissertations about: "DFT, magnetic"
Showing result 1 - 5 of 69 swedish dissertations containing the words DFT, magnetic.
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1. The Structural Basis for Magnetic Order in New Manganese Compounds
Abstract : Materials with new or improved properties are crucial for technological development. To provide the foundation for future successful products, it is important to prepare and characterise new chemical compounds that could show unusual properties. READ MORE
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2. Magnetic solotronics near the surface of a semiconductor and a topological insulator
Abstract : Technology where a solitary dopant acts as the active component of an opto-electronic device is an emerging field known as solotronics, and bears the promise to revolutionize the way in which information is stored, processed and transmitted. Magnetic doped semiconductors and in particular (Ga, Mn)As, the archetype of dilute magnetic semiconductors, and topological insulators (TIs), a new phase of quantum matter with unconventional characteristics, are two classes of quantum materials that have the potential to advance spin-electronics technology. READ MORE
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3. First-principles Studies of Local Structure Effects in Magnetic Materials
Abstract : This thesis focus on the magnetic behavior, from single atoms to bulk materials. The materials considered in this thesis have been studied by computational methods based on ab initio theory, density functional theory (DFT), including treatment of the spin-orbit coupling, non-collinear magnetism, and methods capable of treating discorded systems. READ MORE
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4. Theoretical and Computational Studies on the Physics of Applied Magnetism : Magnetocrystalline Anisotropy of Transition Metal Magnets and Magnetic Effects in Elastic Electron Scattering
Abstract : In this thesis, two selected topics in magnetism are studied using theoretical modelling and computational methods. The first of these is the magnetocrystalline anisotropy energy (MAE) of transition metal based magnets. In particular, ways of finding 3d transition metal based materials with large MAE are considered. READ MORE
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5. Theoretical Investigations of Two-Dimensional Materials : Studies on Electronic, Magnetic, Mechanical, and Thermal Properties
Abstract : Two-dimensional (2D) materials have been paid enormous attention since the first realization of graphene in 2004, in connection to high-speed flexible electronics, 2D magnetism, optoelectronics, and so on. Apart from graphene, many new 2D materials with special properties have been predicted and synthesized. READ MORE