Body-Centered Tetragonal C16: A Novel Topological Node-Line Semimetallic Carbon Composed of Tetrarings

被引:79
作者
Cheng, Yong [1 ]
Feng, Xing [1 ]
Cao, Xiaoting [1 ]
Wen, Bin [1 ]
Wang, Qian [2 ]
Kawazoe, Yoshiyuki [3 ]
Jena, Puru [4 ]
机构
[1] Yanshan Univ, State Key Lab Metastable Mat Sci & Technol, Qinhuangdao 066004, Peoples R China
[2] Peking Univ, Coll Engn, Ctr Appl Phys & Technol, Beijing 100871, Peoples R China
[3] Tohoku Univ, New Ind Creat Hatchery Ctr, Aoba Ku, 6-6-4 Aramaki Aza Aoba, Sendai, Miyagi 9808579, Japan
[4] Virginia Commonwealth Univ, Dept Phys, Richmond, VA 23284 USA
基金
中国国家自然科学基金;
关键词
SMALLEST FULLERENE; DIRAC SEMIMETAL; GRAPHENE; ALLOTROPES; FERMIONS;
D O I
10.1002/smll.201602894
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Researchers demonstrate body-centered tetragonal C16 as a novel topological node-line semimetallic carbon composed of tetrarings. To verify the stability of bct-C16, the total energy, phonon spectra, and elastic constants calculations as well as molecular dynamic (MD) simulations have been performed. Researchers find that bct-C16 is energetically metastable against graphite and diamond with 0.649 and 0.551 eV per atom higher in energy. This is caused by the higher ring strain in tetrarings.
引用
收藏
页数:7
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