Electronic, structural and magnetic properties of goldene nanoribbons

Abstract

Recently, two-dimensional goldene, a single-atomic-layer gold sheet, has been experimentally realized and is expected to be a promising material for next-generation devices, offering new possibilities beyond three-dimensional bulk gold. Because quasi-one-dimensional derivatives can exhibit properties markedly different from their two-dimensional counterparts, we investigate the stability, electronic, and magnetic properties of goldene-based nanoribbons (GOLDNRs) using first-principles computational methods. Our findings demonstrate that the electronic structure of these nanoribbons depends strongly on both edge chirality and ribbon width. Depending on the boundary configuration, the systems can exhibit semiconducting behavior with electronic band gaps of approximately 0.77 eV and 0.04 eV, or retain metallic characteristics. Additionally, the edge regions act as electronically active sites that may significantly enhance chemical reactivity relative to the central regions. As the ribbon width increases, the metallic characteristics of the infinite goldene sheet are progressively recovered, while the influence of quantum confinement and edge effects on the central region diminishes. These results provide important insights into tailoring the physical properties of goldene through lateral confinement, highlighting its potential for applications in nanoscale field-effect transistors, spintronic devices, and catalysis.