Sökning: "electron structure"

Visar resultat 21 - 25 av 1292 avhandlingar innehållade orden electron structure.

  1. 21. First Principles Calculations of Electron Transport and Structural Damage by Intense Irradiation

    Författare :Carlos Ortiz; Olle Eriksson; Mattias Klintenberg; Richard A. London; Uppsala universitet; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; Condense matter theory; electronic structure; quasiparticles; GW theory; molecular dynamics; Boltzmann transport; electron transport; impact ionization; structural damage; dielectric response; structural biology; radiation detectors; scintillators; positron emission tommography; Electronic structure; Elektronstruktur; Semiconductor physics; Halvledarfysik; Biological physics; Biologisk fysik; Critical phenomena phase transitions ; Kritiska fenomen fasövergångar ; Functional materials; Funktionella material; Materiefysik; Physics of Matter;

    Sammanfattning : First principle electronic structure theory is used to describe the effect of crystal binding on radiation detectors, electron transport properties, and structural damage induced by intense irradiation. A large database containing general electronic structure results to which data mining algorithms can be applied in the search for new functional materials, a case study is presented for scintillator detector materials. LÄS MER

  3. 22. 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

  4. 23. Towards atomically resolved magnetic measurements in the transmission electron microscope : A study of structure and magnetic moments in thin films

    Författare :Hasan Ali; Klaus Leifer; Peter Van Aken; Uppsala universitet; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; Transmission electron microscope; thin films; magnetic moments; electron energy loss spectroscopy; simultaneous acquisition; electron magnetic circular dichroism; Teknisk fysik med inriktning mot materialanalys; Engineering Science with specialization in Materials Analysis;

    Sammanfattning : The magnetic properties of thin metallic films are significantly different from the bulk properties due to the presence of interfaces. The properties shown by such thin films are influenced by the atomic level structure of the films and the interfaces. LÄS MER

  5. 24. Electron tomography analysis of 3D order and interfacial structure in nano-precipitates

    Författare :Ling Xie; Klaus Leifer; Christian Kübel; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Electron tomography; nanoprecipitate; interfacial structure.; Materialvetenskap; Materials Science;

    Sammanfattning : Structural characterization is essential to understand the formation mechanisms of the nanostructures in thin absorber layers in third generation solar cells and amyloid protein aggregates. Since to the dimension of the precipitated structures is in nanometer scale, electron tomography technique in transmission electron microscopy (TEM) has been applied as a major tool to analyze the 3D order and distribution of precipitates using the electron tomography technique. LÄS MER

  7. 25. Multipoles in Correlated Electron Materials

    Författare :Francesco Cricchio; Lars Nordström; Peter Oppeneer; Igor Solovyev; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; correlated electrons; magnetic ordering; multipoles; actinides; hidden order; high temperature superconductors; Fe pnictides; electronic structure calculations; Condensed matter physics; Kondenserade materiens fysik; Superconductivity; Supraledning; Electronic structure; Elektronstruktur; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Sammanfattning : Electronic structure calculations constitute a valuable tool to predict the properties of materials. In this study we propose an efficient scheme to study correlated electron systems with essentially only one free parameter, the screening length of the Coulomb potential. LÄS MER