2018/12/31 by Jing-Yang You, Jing‐Yang You, Xingyu Ma +8
Chemistry · Materials Science · Physics and Astronomy · #Boron and Carbon Nanomaterials Research #Brillouin zone #Carbon Nanotubes in Composites #Carbon fibers #Chemical bond #Chemistry #Condensed matter physics #Crystallography #Diffraction #Fullerene #Geometry #Graphene research and applications #Materials science #Molecular physics #Optics #Physics #Quantum mechanics #Symmetry (geometry) #Topology (electrical circuits) #cond-mat.mtrl-sci
paper · pdf · doi:10.1016/j.carbon.2019.06.060
published as Carbon 152, 909-914 (2019) · arXiv admin note: text overlap with arXiv:1707.01841 by other authors
openalex publication_date 2019/06/26 · arxiv created 2019/07/16 · arxiv updated 2019/07/18 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
A structurally stable carbon allotrope with plentiful topological properties is predicted by means of first-principles calculations. This novel carbon allotrope possesses the simple space group C2/m, and contains simultaneously sp, sp2 and sp3 hybridized bonds in one structure, which is thus coined as carboneyane. The calculations on geometrical, vibrational, and electronic properties reveal that carboneyane, with good ductility and a much lower density 1.43 g/cm3, is a topological metal with a pair of nodal lines traversing the whole Brillouin zone, such that they can only be annihilated in a pair when symmetry is preserved. The symmetry and topological protections of the nodal lines as well as the associated surface states are discussed. By comparing its x-ray diffraction pattern with experimental results, we find that three peaks of carboneyane meet with the detonation soot. On account of the fluffy structure, carboneyane is shown to have potential applications in areas of storage, adsorption and electrode materials.