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    Nonlinear optical properties of TeO 2 crystalline phases from first principles

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    Nonlinear optical ... (456.5Kb)
    Identificadores
    URI: http://hdl.handle.net/10902/4177
    DOI: 10.1103/PhysRevB.83.245205
    ISSN: 1098-0121
    ISSN: 1550-235X
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    Author
    Berkaïne, Nabil; Orhan, Emmanuelle; Masson, Olivier; Thomas, Philippe; Junquera Quintana, Francisco JavierAutoridad Unican
    Date
    2011-06
    Derechos
    ©2011 American Physical Society
    Publicado en
    Physical review. B, Condensed matter and materials physics, vol. 83, iss. 24, art. num. 245205 (2011)
    Publisher
    American Physical Society
    Enlace a la publicación
    http://dx.doi.org/10.1103/PhysRevB.83.245205
    Abstract:
    We have computed second and third nonlinear optical susceptibilities of two crystalline bulk tellurium oxide polymorphs: α -TeO 2 (the most stable crystalline bulk phase) and γ -TeO 2 (the crystalline phase that ressembles the more to the glass phase). Third-order nonlinear susceptibilities of the crystalline phases are two orders of magnitude larger than α -SiO 2 cristoballite, thus extending the experimental observations on glasses to the case of crystalline compounds. While the electronic lone pairs of Te contribute to those large values, a full explanation of the anisotropy of the third-order susceptibility tensor requires a detailed analysis of the structure, in particular, the presence of helical chains, that seems to be linked to cooperative nonlocal polarizabilty effects.
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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