First-principles study of location of Er(3+) ion-relationship to understanding of hyperfine interactions in the optoelectronic erbium-silicon system

    Authors

    J. Jeong; S. Byahut; R. H. Pink; R. H. Scheicher; M. B. Huang; L. Chow; D. R. Mishra; M. M. Aryal; N. B. Maharjan; D. D. Paudyal;T. P. Das

    Comments

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    Abbreviated Journal Title

    Hyperfine Interact.

    Keywords

    Silicon; Erbium; Hexagonal interstitial; Tetrahedral interstitial; Substitutional; Hyperfine interactions; LATTICE LOCATIONS; SI; Physics, Atomic, Molecular & Chemical; Physics, Condensed Matter; Physics, Nuclear

    Abstract

    The importance of hyperfine interactions in the Erbium-Silicon system is underscored by our first-principles Hartree-Fock Cluster investigations on the location of Erbium in Silicon. Our theoretical studies show that both substitutional and tetrahedral interstitial sites are stable for Er(3+) ion with the latter having a larger binding energy. This conclusion is not completely supported by channeling experiments. It is suggested that Mossbauer measurements on (166)Er isotope would be valuable to compare experimental results with theoretical predictions of the hyperfine interactions of both magnetic and quadrupolar types to provide additional information about the location of Er(3+).

    Journal Title

    Hyperfine Interactions

    Volume

    178

    Issue/Number

    1-3

    Publication Date

    1-1-2007

    Document Type

    Article

    Language

    English

    First Page

    51

    Last Page

    56

    WOS Identifier

    WOS:000260280700009

    ISSN

    0304-3843

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