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    Structural, Mechanical, and Superconducting Properties of Clathrates

    New search for: Blase, Xavier
    New search for: Benedek, Giorgio
    New search for: Bernasconi, Marco

    Abstract Clathrates are superhard cagelike structures with sp3 bonding that have been up to now synthesized for silicon. There is however some evidence of a carbon based counterpart in meteorites. If realized, carbon clathrates could on the one hand provide a material harder than diamond and on the other hand offer the possibility for selective doping and superconducting properties by intercalation. In this chapter all these aspects are thoroughly discussed by means of ab initio calculations based on density functional theory.

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    Structural, Mechanical, and Superconducting Properties of Clathrates

    New search for: Blase, Xavier
    New search for: Benedek, Giorgio
    New search for: Bernasconi, Marco

    Abstract Clathrates are superhard cagelike structures with sp3 bonding that have been up to now synthesized for silicon. There is however some evidence of a carbon based counterpart in meteorites. If realized, carbon clathrates could on the one hand provide a material harder than diamond and on the other hand offer the possibility for selective doping and superconducting properties by intercalation. In this chapter all these aspects are thoroughly discussed by means of ab initio calculations based on density functional theory.

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    Check access
    Check availability in my library
    Order at Subito €

    Structural, Mechanical, and Superconducting Properties of Clathrates

    New search for: Blase, Xavier
    New search for: Benedek, Giorgio
    New search for: Bernasconi, Marco

    Abstract Clathrates are superhard cagelike structures with sp3 bonding that have been up to now synthesized for silicon. There is however some evidence of a carbon based counterpart in meteorites. If realized, carbon clathrates could on the one hand provide a material harder than diamond and on the other hand offer the possibility for selective doping and superconducting properties by intercalation. In this chapter all these aspects are thoroughly discussed by means of ab initio calculations based on density functional theory.

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    Title:

    Structural, Mechanical, and Superconducting Properties of Clathrates

    Contributors:

    Blase, Xavier (author) / Benedek, Giorgio (author) / Bernasconi, Marco (author)

    Published in:

    Computer-Based Modeling of Novel Carbon Systems and Their Properties ; 171-206

    Carbon Materials: Chemistry and Physics ; 3

    Publication date:

    2010-01-01

    Size:

    36 pages

    ISBN:

    978-1-4020-9717-1 , 978-1-4020-9718-8

    ISSN:

    1875-0745 , 1875-0737

    DOI:

    https://doi.org/10.1007/978-1-4020-9718-8_6

    Type of media:

    Article/Chapter (Book)

    Type of material:

    Electronic Resource

    Language:

    English

    Keywords:

    Fermi Level , Fullerenic Cage , Chemical Vapor Deposition Diamond , Diamond Phase , Guest Atom Chemistry , Theoretical and Computational Chemistry , Nanotechnology , Materials Science, general

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