A one-dimensional extremely covalent material: monatomic carbon linear chain
1 Key Laboratory for Thin Film and Microfabrication of the Ministry of Education, Research Institute of Micro/Nano Science and Technology, Shanghai Jiao Tong University, Shanghai 200240, China
2 National Laboratory for Infrared Physics, Shanghai Institute of Technical Physics, Chinese Academy of Sciences, Shanghai 200083, China
Nanoscale Research Letters 2011, 6:577 doi:10.1186/1556-276X-6-577Published: 31 October 2011
Polyyne and cumulene of infinite length as the typical covalent one-dimensional (1D) monatomic linear chains of carbon have been demonstrated to be metallic and semiconductor (Eg = 1.859 eV), respectively, by first-principles calculations. Comparing with single-walled carbon nanotubes, the densities are evidently low and the thermodynamic properties are similar below room temperature but much different at the high temperature range. Polyyne possesses a Young's modulus as high as 1.304 TPa, which means it is even much stiffer than carbon nanotubes and to be the superlative strong 1D material along the axial direction. The Young's modulus of cumulene is estimated to be 760.78 GPa. In addition, polyyne is predicted to be as a one-dimensional electronic material with very high mobility.