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Structural, Mechanical, and Superconducting Properties of Clathrates

Blase, Xavier / Benedek, Giorgio / 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

Blase, Xavier / Benedek, Giorgio / 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.

Structural, Mechanical, and Superconducting Properties of Clathrates

Blase, Xavier / Benedek, Giorgio / 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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Titel:

Structural, Mechanical, and Superconducting Properties of Clathrates

Beteiligte:

Blase, Xavier (Autor:in) / Benedek, Giorgio (Autor:in) / Bernasconi, Marco (Autor:in)

Erschienen in:

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

Carbon Materials: Chemistry and Physics ; 3

Erscheinungsdatum:

01.01.2010

Format / Umfang:

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

Medientyp:

Aufsatz/Kapitel (Buch)

Format:

Elektronische Ressource

Sprache:

Englisch

Schlagwörter:

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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