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Phys Rev Lett ; 102(5): 055703, 2009 Feb 06.
Artículo en Inglés | MEDLINE | ID: mdl-19257523

RESUMEN

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.

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