Substitutionally Doped Zigzag Germanium Sulfide Nanoribbon for Interconnect Applications: DFT-NEGF Approach

Abstract

Using the first-principles approach, we have probed the electronic, structural, and transport properties of n-doped zigzag germanium sulfide nanoribbons (ZGeSNR) for interconnect application. We have explored two possible cases of sulfur substitution, namely S-substitution at the top edge and S-substitution at the bottom edge. Our calculated formation energy suggests that both the phosphorus (P) and nitrogen (N) doped ZGeSNR configurations were thermodynamically stable. Further, with the $\mathbf {E-k}$ diagram and DOS profile calculation, we also revealed that the doped structure possesses a metallic character in contrast to its pristine counterparts. Finally, two probe device model-based transport analysis were performed to comment on crucial small-signal dynamic parameters $\mathbf {(R_{Q}, L_{K}, C_{Q})}$ . The calculation of the transmission channels $\mathbf {(N_{ch})}$ against the variable biased voltage was then investigated, which indicates the lowest and bias-insensitive value of $\mathbf {R_{Q}}$ (6.45 Kohm), $\mathbf {L_{K}}$ $\mathbf {(6.42nH/\mu m)}$ , and $ \mathbf {C_{Q}(6.16pF/cm)}$ for ZGeSNR doped with S-site-P (bottom), making it a promising contender for nanoscale interconnect.