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

来源：

SMALL | 2017年 / 13卷 / 12期

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

页数：7

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