Skip to main content
Article thumbnail
Location of Repository

T-Carbon: A Novel Carbon Allotrope

By Xian-Lei Sheng, Qing-Bo Yan, Fei Ye, Qing-Rong Zheng and Gang Su

Abstract

A structurally stable crystalline carbon allotrope is predicted by means of the first-principles calculations. This allotrope can be derived by substituting each atom in diamond with a carbon tetrahedron, and possesses the same space group Fd^1 3m as diamond, which is thus coined as T- carbon. The calculations on geometrical, vibrational and electronic properties reveal that T-carbon, with a considerable structural stability and a much lower density 1.50 g/cm3, is a semiconductor with a direct band gap about 3.0 eV, and has a Vickers hardness 61.1 GPa lower than diamond but comparable with cubic boron nitride. Such a form of carbon, once obtained, would have wide applications in photocatalysis, adsoption, hydrogen storage and aerospace materials

Topics: Condensed Matter - Materials Science
Year: 2011
DOI identifier: 10.1103/PhysRevLett.106.155703
OAI identifier: oai:arXiv.org:1105.0977
Download PDF:
Sorry, we are unable to provide the full text but you may find it at the following location(s):
  • http://arxiv.org/abs/1105.0977 (external link)
  • Suggested articles


    To submit an update or takedown request for this paper, please submit an Update/Correction/Removal Request.