Sökning: "Electronic-structure"

Visar resultat 21 - 25 av 451 avhandlingar innehållade ordet Electronic-structure.

1. 21. A soft X-ray emission study of the electronic structure of molecules

   Författare :Kerstin Gunnelin; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Physics; molecules; electronic structure; soft x-ray emission spectroscopy; Fysik; Physics; Fysik; fysik; Physics;

   Sammanfattning : The electronic structure of molecules has been studied with soft x-ray emission (SXE)spectroscopy. The parity selection rule for electronic transitions using resonant excitation has been verified for homonuclear diatomic molecules by studying N2 and O2. LÄS MER

3. 22. Electronic Structure and Film Morphology Studies of PTCDI on Metal/Semiconductor Surfaces

   Författare :Christian Emanuelsson; Hanmin Zhang; Lars Johansson; Ellen Moons; Mats Ahmadi Götelid; Karlstads universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; PTCDI; STM; LEED; XPS; UPS; NEXAFS; Organic Films; Semicondcutor Surfaces; Electronic Structure; Molecular Interactions; Film Morphology; Physics; Fysik;

   Sammanfattning : Organic semiconductors have received increasing attention over the last decades as potential alternatives for inorganic semiconductors. The properties of these films are highly dependent on their structural order. LÄS MER

4. 23. Formation stability and electronic structure of surfaces and interfaces from first principles

   Författare :Jochen Rohrer; Chalmers tekniska högskola; []
   Nyckelord :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;

   Sammanfattning : 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. LÄS MER

5. 24. Electronic Structure and Statistical Methods Applied to Nanomagnetism, Diluted Magnetic Semiconductors and Spintronics

   Författare :Lars Bergqvist; Olle Eriksson; Warren Pickett; Uppsala universitet; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Materials science; spintronics; magnetism; Monte Carlo; critical temperature; exchange interactions; percolation; disorder; noncollinear; electronic structure; Materialvetenskap; Materials science; Teknisk materialvetenskap;

   Sammanfattning : This thesis is divided in three parts. In the first part, a study of materials aimed for spintronics applications is presented. More specifically, calculations of the critical temperature in diluted magnetic semiconductors (DMS) and half-metallic ferromagnets are presented using a combination of electronic structure and statistical methods. LÄS MER

7. 25. Electronic structure studies and method development for complex materials

   Författare :Andreas Östlin; Levente Vitos; Olle Eriksson; KTH; []
   Nyckelord :electronic structure theory; transition metals; method development;

   Sammanfattning : Over the years electronic structure theory has proven to be a powerful method with which one can probe the behaviour of materials, making it possible to predict properties that are difficult to measure experimentally. The numerical tools needed for these methods are always in need of development, since the desire to calculate more complex materials pushes this field forward. LÄS MER