C-Me-graphene: an ideal two-dimensional nodal line semimetal with ultrahigh Young's modulus

Abstract

Nodal line semimetal (NLSM) has become a captivating medium for studying varieties of novel quantum phenomena. Here, based on first-principles calculations, we identify a square compound lattice (SCL) structure, namely C-Me-graphene, featuring a NLSM, wherein the nodal line of this configuration resides precisely at the Fermi energy without any extraneous bands in the vicinity, manifesting the quintessential characteristics of an ideal NLSM. As a corollary, utilizing symmetry analysis, we propose that nodal lines can be generated by exploiting the two-dimensional (2D) SCL of carbon. This is because the SCL not only satisfies time-reversal symmetry and inversion symmetry but also conforms to glide mirror symmetry. Additionally, this structure reveals remarkable mechanical attributes, exemplifying the highest Young's modulus within the realm of 2D materials, second only to graphene. Our work not only identifies an ideal carbon-based NLSM but also advances a scheme for crafting NLSMs, which would greatly enrich topological materials with exotic properties.