Search for dissertations about: "electron band structure"

Showing result 1 - 5 of 166 swedish dissertations containing the words electron band structure.

  2. 1. Formation stability and electronic structure of surfaces and interfaces from first principles

    Author : Jochen Rohrer; Chalmers tekniska högskola; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; band structure; van der Waals interaction; electronic structure; graphane; graphene; atomic structure; growth; thin film; interface; density functional theory; CVD; Alumina; nucleation;

    Abstract : 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. READ MORE

  4. 2. Structure and stability trends in the platinum metal-silicon systems

    Author : Kenneth Göransson; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Chemistry; Transition metal silicides; electronic band structure; monosilicides; FeSi structure type; MnP structure type; Kemi; Chemistry; Kemi; Inorganic Chemistry; oorganisk kemi;

    Abstract : The stability of group 8-10 silicides has been studied by LMTO-ASA band structurecalculations. In the Rh-Si and Ir-Si systems the lowest calculated heat of formation isfound in compounds near the equiatomic composition. READ MORE

  5. 3. Structure-property investigation of ZnSb, ZnAs, and SiB3 : - binary semiconductors with electron poor framework structures

    Author : Daniel Eklöf; Ulrich Häussermann; Oliver Orckler; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Thermoelectric; Waste heat harvesting; Semiconductor; X-ray powder diffraction; SEM; Electron poor framework; EPFS; Green house effect; Inorganic Chemistry; oorganisk kemi;

    Abstract : In today’s society, where energy conservation and green energy are buzz words, new scientific discoveries in green energy harvesting is key. This work focuses on materials capable of recycling low value thermal energy. READ MORE

  6. 4. Theory of electronic structure and transport in heterostructure nanowires

    Author : Florinda Viñas Boström; NanoLund: Centre for Nanoscience; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; electronic structure; electron transport; nano; quantum; InAs; GaSb; topological; nanowires; quantum dots; Fysicumarkivet A:2020:Vinas Boström;

    Abstract : Today, semi-conductor nanowires can be grown with very high precision, using epitaxy. This allows for studies of new nanowire-based quantum devices, likely to be part of novel quantum technologies in the future. This thesis concerns nanostructures based on InAs nanowires. READ MORE

  7. 5. Electron-lattice dynamics in π-conjugated systems

    Author : Magnus Hultell (Andersson); Sven Stafström; Alessandro Troisi; Linköpings universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; charge transport; electron-lattice dynamics; polaron; adiabatic transport; electron localization; internal conversion; Computational physics; Beräkningsfysik;

    Abstract : The work presented in this thesis concerns the dynamics in π-conjugated hydrocarbon systems. Due to the molecular bonding structure of these systems there exists a coupling between the electronic system and the phonons of the lattice. READ MORE