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    Por favor, use este identificador para citar o enlazar este ítem:http://uvadoc.uva.es/handle/10324/28619

    Título
    Atomistic study of the structural and electronic properties of a-Si:H/c-Si interfaces
    Autor
    Santos Tejido, IvánAutoridad UVA Orcid
    Cazzaniga, Marco
    Onida, Giovanni
    Colombo, Luciano
    Año del Documento
    2014
    Editorial
    IOP Publishing
    Descripción
    Producción Científica
    Documento Fuente
    Journal of Physics: Condensed Matter, 2014, Volume 26, Number 9
    Résumé
    We investigate the structural and electronic properties of the interface between hydrogenated amorphous silicon (a-Si:H) and crystalline silicon (c-Si) by combining tight-binding molecular dynamics and DFT ab initio electronic structure calculations. We focus on the c-Si(100)(1×1)/a-Si:H, c-Si(100)(2×1)/a-Si:H and c-Si(111)/a-Si:H interfaces, due to their technological relevance. The analysis of atomic rearrangements induced at the interface by the interaction between H and Si allowed us to identify the relevant steps that lead to the transformation from c-Si(100)(1×1)/a-Si:H to c-Si(100)(2×1)/a-Si:H. The interface electronic structure is found to be characterized by spatially localized mid-gap states. Through them we have identified the relevant atomic structures responsible for the interface defect states, namely: dangling-bonds, H bridges, and strained bonds. Our analysis contributes to a better understanding of the role of such defects in c-Si/a-Si:H interfaces.
    Palabras Clave
    Hydrogenated amorphous silicon
    Crystalline silicon
    Silicio
    ISSN
    0953-8984
    Revisión por pares
    SI
    DOI
    10.1088/0953-8984/26/9/095001
    Patrocinador
    Ministerio de Ciencia e Innovación (Proyect TEC2011-27701)
    Version del Editor
    http://iopscience.iop.org/article/10.1088/0953-8984/26/9/095001/meta
    Idioma
    eng
    URI
    http://uvadoc.uva.es/handle/10324/28619
    Derechos
    openAccess
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    • DEP22 - Artículos de revista [65]
    • Electrónica - Artículos de revista [33]
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    Attribution-NonCommercial-NoDerivatives 4.0 InternationalExcepté là où spécifié autrement, la license de ce document est décrite en tant que Attribution-NonCommercial-NoDerivatives 4.0 International

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