• español
  • English
  • français
  • Deutsch
  • português (Brasil)
  • italiano
    • español
    • English
    • français
    • Deutsch
    • português (Brasil)
    • italiano
    • español
    • English
    • français
    • Deutsch
    • português (Brasil)
    • italiano
    JavaScript is disabled for your browser. Some features of this site may not work without it.

    Browse

    All of UVaDOCCommunitiesBy Issue DateAuthorsSubjectsTitles

    My Account

    Login

    Statistics

    View Usage Statistics

    Share

    View Item 
    •   UVaDOC Home
    • SCIENTIFIC PRODUCTION
    • Departamentos
    • Dpto. Física Teórica, Atómica y Óptica
    • DEP33 - Artículos de revista
    • View Item
    •   UVaDOC Home
    • SCIENTIFIC PRODUCTION
    • Departamentos
    • Dpto. Física Teórica, Atómica y Óptica
    • DEP33 - Artículos de revista
    • View Item
    • español
    • English
    • français
    • Deutsch
    • português (Brasil)
    • italiano

    Export

    RISMendeleyRefworksZotero
    • edm
    • marc
    • xoai
    • qdc
    • ore
    • ese
    • dim
    • uketd_dc
    • oai_dc
    • etdms
    • rdf
    • mods
    • mets
    • didl
    • premis

    Citas

    Por favor, use este identificador para citar o enlazar este ítem:http://uvadoc.uva.es/handle/10324/2510

    Título
    Ab initio calculation of the lattice distortions induced by substitutional Ag^- and Cu^- impurities in alkali halide crystals
    Autor
    Aguado Rodríguez, AndrésAutoridad UVA Orcid
    López Rodríguez, José ManuelAutoridad UVA Orcid
    Alonso Martín, Julio AlfonsoAutoridad UVA Orcid
    Año del Documento
    2000
    Descripción
    Producción Científica
    Documento Fuente
    Physical Review B v 62, n. 5, (2000) p. 3086-3092
    Abstract
    An ab initio study of the doping of alkali halide crystals (AX: A=Li, Na, K, Rb; X = F, Cl, Br, I) by ns^2 anions (Ag^- and Cu^-) is presented. Large active clusters with 179 ions embedded in the surrounding crystalline lattice are considered in order to describe properly the lattice relaxation induced by the introduction of substitutional impurities. In all the cases considered, the lattice distortions imply the concerted movement of several shells of neighbors. The shell displacements are smaller for the smaller anion Cu^-, as expected. The study of the family of rock-salt alkali halides (excepting CsF) allows us to extract trends that might be useful at a predictive level in the study of other impurity systems. Those trends are presented and discussed in terms of simple geometric arguments.
    Materias (normalizadas)
    Cristalografía
    Revisión por pares
    SI
    DOI
    10.1103/PhysRevB.62.3086
    Version del Editor
    http://link.aps.org/doi/10.1103/PhysRevB.62.3086
    Propietario de los Derechos
    © Todos los derechos reservados
    Idioma
    eng
    URI
    http://uvadoc.uva.es/handle/10324/2510
    Derechos
    restrictedAccess
    Collections
    • DEP33 - Artículos de revista [202]
    Show full item record
    Files in this item
    Nombre:
    PhysRevB.62.3086.pdf
    Tamaño:
    233.3Kb
    Formato:
    Adobe PDF
    Thumbnail
    FilesOpen

    Universidad de Valladolid

    Powered by MIT's. DSpace software, Version 5.10