Novel three dimensional topological nodal line semimetallic carbon

Yong Cheng, Jinglian Du, Roderick Melnik, Yoshiyuki Kawazoe, Bin Wen

Research output: Contribution to journalArticlepeer-review

33 Citations (Scopus)


A new cubic three dimensional carbon phase has been predicted by first-principles calculations. This phase is constructed by triangle graphene sheets, and dubbed as sc-C96. The investigation on its electronic properties has indicated that sc-C96 possesses a topological nodal line semimetal state, which protected by the combination of time reversal and spatial inversion symmetries, and negligible spin-orbit interaction. Due to the cubic symmetry, the Fermi surface of sc-C96 is constituted of three nodal line circles. From the cohesive energy and phonon spectra, we find that sc-C96 is dynamically stable and may be easily synthesized by polymerizing C96 fullerene molecules at a relatively low pressure conditions (∼1 GPa).

Original languageEnglish
Pages (from-to)468-473
Number of pages6
Publication statusPublished - 2016 Mar 1


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