| Literature DB >> 19257523 |
Masahiro Itoh1, Motoko Kotani, Hisashi Naito, Toshikazu Sunada, Yoshiyuki Kawazoe, Tadafumi Adschiri.
Abstract
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.Entities:
Year: 2009 PMID: 19257523 DOI: 10.1103/PhysRevLett.102.055703
Source DB: PubMed Journal: Phys Rev Lett ISSN: 0031-9007 Impact factor: 9.161