Search for dissertations about: "interface atomic structure"

Showing result 1 - 5 of 99 swedish dissertations containing the words interface atomic 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 of thin-film oxides: an ab initio study of TiC/Alumina

    Author : Jochen Rohrer; Chalmers tekniska högskola; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; Interface Atomic Structure; Growth; Alumina; Electronic Structure; DFT; Thin Film;

    Abstract : Oxides and oxide films play a major role in present-daytechnologies. Identification and analysis of their atomic andelectronic structure are important to develop new functionalmaterials. READ MORE

  5. 3. Synchrotron Radiation Studies of Molecular Building Blocks for Functional Materials

    Author : Teng Zhang; Carla Puglia; Nils Martensson; Svante Svensson; Valeria Lanzilotto; Albano Cossaro; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Synchrotron radiation study; Functional materials; Molecular building blocks; Electron donor; 2D material; Gas-phase; Organic thin film; Electronic structure; Molecule-molecule interaction; Molecule-substrate interaction; Photoelectron spectroscopy; PES; XPS; Near edge X-ray absorption fine structure; NEXAFS; X-ray Absorption Spectroscopy; XAS; Au 111 ; Cu 111 ; Surface; Interface; Electronic structure; H-bonding; Cobalt phthalocyanine; CoPc; Triphenylamine; TPA; DPTA; m-MTDATA; Melamine; Biphenylene; Carbon nitride; Graphenylene; Density functional theory; DFT; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Abstract : The research on new materials is a primary driving force for progress in human society. One of the most significant research topic nowadays is the development of new functional materials for technological applications, like perovskite implemented in solar cells, and graphene as a representative for the new 2D materials family. READ MORE

  6. 4. Order and interfaces in epitaxial heterostructures : Structure and magnetism

    Author : Anna L. Ravensburg; Vassilios Kapaklis; Björgvin Hjörvarsson; Gunnar K. Pálsson; Martina Müller; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES;

    Abstract : The work in this dissertation is devoted to investigating order and interfaces in epitaxial heterostructures. To achieve that the software tool box GenL was developed for simulating and fitting x-ray diffraction patterns from epitaxial thin films, which is used to access structural information on the length scales of interfaces and atomic bonds. READ MORE

  7. 5. X-ray Absorption Spectroscopy on Nano-Magnet Arrays and Thin Films : Magnetism and Structure

    Author : Andreas Persson; Dimitri Arvanitis; Cormac McGuinness; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; self organization; nano-magnet; xmcd; exafs; peem; magnetism; Surfaces and interfaces; Ytor och mellanytor; Magnetism; Magnetism; Materiefysik; Physics of Matter;

    Abstract : The magnetic and structural properties of nano magnet arrays and ferromagnetic thin films are investigated. Circular x-rays are used and extensive use is made in this Thesis of the X-ray Magnetic Circular Dichroism (XMCD) technique. By means of the XMCD magneto-optic sum rules the values of the orbital and spin moments are determined. READ MORE