One-Electron Theory of Metals. Cohesive and Structural Properties

Hans Lomholt Skriver

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    Abstract

    The work described in the report r.nd the 16 accompanying publications is based upon a one-electron theory obtained within the local approximation to density-functional theory, and deals with the ground state of metals as obtained from selfconsistent electronic-structure calculations performed by means of the Linear Muffin-Tin Orbital (LMTO) method. It has been the goal of the work to establish how well this one-electron approach describes physical properties such as the crystal structures of the transition metals, the structural phase transitions in the alkali, alkaline earth, and rare earth metals, and the localization of 3d, 4f, and 5f electrons in the 3d metal monoxides, the light lanthanides, and the actinides, respectively, as well as the cohesive properties of metals in general.!
    Original languageEnglish
    Place of PublicationRoskilde
    PublisherDanmarks Tekniske Universitet, Risø Nationallaboratoriet for Bæredygtig Energi
    Number of pages82
    ISBN (Print)87-550-1136-5
    Publication statusPublished - 1984
    SeriesDenmark. Forskningscenter Risoe. Risoe-R
    Number516
    ISSN0106-2840

    Keywords

    • Risø-R-516
    • Risø-R-516(EN)

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