First-principles study on the mechanics, optical, and phonon properties of carbon chains Project supported by the National Natural Science Foundation of China (Grant No. 11672087), the Strategic Programs for Innovative Research (SPIRE), the Computational Materials Science Initiative (CMSI), and the Yukawa International Program for Quark-Hadron Sciences at YITP, Kyoto University, Japan. |
(color online) (a) The low-energy part of the phonon dispersion and (b) the phonon DOS of cumulene obtained by GGA-PW91. |