Robust Ferrimagnetic Ground State and Suppressed Superconductivity in Two-Dimensional HC6
arXiv:2509.20672 · doi:10.1016/j.cocom.2025.e01188
Abstract
Two-dimensional hydrogenated graphene (HC6) represents a promising platform for exploring emergent electronic phases. Owing to its high electronic density of states at the Fermi level, HC6 is expected to support phonon-mediated superconductivity, with a calculated critical temperature Tc of 37.4 K in the paramagnetic metallic phase. However, spin-polarized first-principles calculations reveal that HC6 stabilizes in a ferrimagnetic ground state, which is energetically favored by 0.175 eV per unit cell over the paramagnetic metallic phase. This large energy difference significantly exceeds kB T at room temperature, indicating robust magnetic order. Although the superconducting condensation energy lowers the total energy by about 7 meV, the superconducting phase remains metastable. These results highlight the dominant role of magnetism in HC6 and illustrate how a high electronic density of states can drive competing instabilities in hydrogenated two-dimensional materials, offering design principles for carbon-based magnetic systems.
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