Sökning: "band structure calculations"

Visar resultat 21 - 25 av 129 avhandlingar innehållade orden band structure calculations.

  1. 21. Improving Thermoelectric Properties of Inorganic Clathrates by Atomic and Microscale Structure Engineering

    Författare :Yifei Zhang; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Crystal structure; Thermoelectrics; Chemical ordering; Microstructure; Clathrates; Thermal properties; Electrical transport properties;

    Sammanfattning : As more countries are aiming for a carbon-neutral economy, technologies that utilize renewable energies are increasingly being considered. Thermoelectric materials enable the direct conversion between a thermal gradient and an electrical potential gradient, and are thus exploited for applications such as waste heat recovery. LÄS MER

  3. 22. 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

  4. 23. Theoretical Studies on Electronic Structure, Spectra and Conductivity of Pristine and Alkali Doped Polyacetylene

    Författare :Lucía Mercedes Rodrigues Monge; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; theoretical calculations; electron transfer; conductivity; polyacetylene; alkali metal; ab-initio methods; charge transport; semiempirical methods; doping;

    Sammanfattning : The present thesis is a theoretical investigation of the electronic properties of linear polyenes to get an insight into conductive phenomena in pristine and doped polyacetylene. Conductivity in polyacetylene is a complex phenomena and cannot be treated within simple band models. LÄS MER

  5. 24. Experimental Nuclear Structure Studies in the Vicinityof the N = Z Nucleus 100Sn and in the ExtremelyNeutron Deficient 162Ta Nucleus

    Författare :Farnaz Ghazi Moradi; Bo Cederwall; Costel Marian Petrache; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Nuclear structure; Fysik; Physics;

    Sammanfattning : This work covers spectroscopic studies of nuclei from different regions of the Segré chart whose properties illustrate the delicate balance between the forces in the atomic nucleus. Studies of nuclei far from stability offer new insights into the complex nucleon many-body problem. LÄS MER

  7. 25. Electronic structure studies of carbon based nanomaterials

    Författare :Mattias Hjort; David Tomanek; Linköpings universitet; []
    Nyckelord :;

    Sammanfattning : This thesis deals with theoretical investigations of the electronic structure of conjugated carbon based materials. Novel materials like the C60 fullerene and the carbon nanotubes, but also the more well known, but closely related, graphite phase of carbon were studied. LÄS MER