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    Study of interplanar binding in graphite by extended Thomas-Fermi theory

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    Study of interplanar ... (370.8Kb)
    Identificadores
    URI: http://hdl.handle.net/10902/1717
    DOI: 10.1103/PhysRevB.31.8226
    ISSN: 1095-3795
    ISSN: 0163-1829
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    Author
    Gaite, Eugenio; Leal Villalba, Matilde; Santos Corchero, Emilio
    Date
    1985-06-15
    Derechos
    © American Physical Society
    Publicado en
    Physical Review. B, Condensed Matter, vol 31, Num 12, p. 8226-8231, (1985)
    Publisher
    American Physical Society
    Enlace a la publicación
    http://dx.doi.org/10.1103/PhysRevB.31.8226
    Abstract:
    A model of a graphite crystal is used which consists of a set of parallel slabs of positive charge immersed in an electron sea. Each slab, about 1 Å wide, contains the charge of the nucleus and five electrons per carbon atom, homogeneously distributed in the volume of the slabs. The electron density in the region between slabs is calculated from Thomas-Fermi-Dirac theory including corrections for inhomogeneity to the kinetic energy and correlation energy. Also, a calculation is reported with the electron density obtained by a minimization of the Thomas-Fermi-Dirac-Kirzhnits functional. The results are in semiquantitative agreement with empirical data.
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    UNIVERSIDAD DE CANTABRIA

    Repositorio realizado por la Biblioteca Universitaria utilizando DSpace software
    Contact Us | Send Feedback
    Metadatos sujetos a:licencia de Creative Commons Reconocimiento 3.0 España