New metallic carbon crystal

Recently, mathematical analysis clarified that sp;{2} hybridized carbon should have a three-dimensional crystal structure (K4) which can be regarded as a twin of the sp;{3} diamond crystal. In this study, various physical properties of the K4 carbon crystal, especially for the electronic properties,...

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Veröffentlicht in:Physical review letters 2009-02, Vol.102 (5), p.055703-055703, Article 055703
Hauptverfasser: Itoh, Masahiro, Kotani, Motoko, Naito, Hisashi, Sunada, Toshikazu, Kawazoe, Yoshiyuki, Adschiri, Tadafumi
Format: Artikel
Sprache:eng
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Zusammenfassung:Recently, mathematical analysis clarified that sp;{2} hybridized carbon should have a three-dimensional crystal structure (K4) which can be regarded as a twin of the sp;{3} diamond crystal. In this study, various physical properties of the K4 carbon crystal, especially for the electronic properties, were evaluated by first principles calculations. Although the K4 crystal is in a metastable state, a possible pressure induced structural phase transition from graphite to K4 was suggested. Twisted pi states across the Fermi level result in metallic properties in a new carbon crystal.
ISSN:0031-9007
1079-7114
DOI:10.1103/PhysRevLett.102.055703