Maneuvering edge passivation of armchair BeN4 nanoribbons for efficient nanoscale interconnects

Abstract

This study investigates the influence of edge passivations of armchair BeN${}_4$ nanoribbons with F, O, and -OH using density functional theory based calculations. Our results show that Be-edges of nanoribbons can be passivated with the investigated functional elements/groups, while N-edges remain chemically inert. Electronic structure analysis revealed that F- and OH-passivation eliminated Be atom edge states, shifting from edge-states to bulk-states dominated conduction. Quantum transport calculations indicate that Be-edge modes contribute significantly to current conduction, with passivation reducing electron current. Additionally, most of the considered nanoribbon configurations exhibit approximately linear current–voltage (I–V) characteristics. Analysis of the equivalent RLC circuit for interconnects shows that F-passivated mixed-edge nanoribbons can serve as high-speed interconnects in nanoscale devices due to minimal intrinsic propagation delay ($\sim$ 4 to $6\mu s$). Thus, our findings provide valuable insights for experimental efforts aimed at developing functional devices based on nitrogen-rich armchair BeN${}_4$ nanoribbons.