Investigation of Asymmetric Edge Passivated Zigzag Germanium Selenide Nanoribbons for Metal Interconnect Applications: A First‐Principles Study

ABSTRACT Asymmetric edge passivation is one of the prevalent methods for modification of nanoribbons' electronic and transport properties. On the basis of selective edge passivation, various applications of nanoribbons have been explored in the areas of spintronics, nanoscale metal interconnects, sensors, and transistors, among others. Hence, in the present study, we have primarily focused on investigating asymmetric (selective) edge H‐passivated and F‐passivated Zigzag Germanium Selenide Nanoribbons (ZGeSeNRs) for metal interconnect applications. First, we optimize symmetric and asymmetric edge configurations and then calculate their structural, electronic, and transport properties. Furthermore, we observed that the asymmetric edge passivated (H and F) configurations are thermodynamically stable, based on negative values of binding energy . The structural properties gave the stability of nanoribbons; the more negative the value of binding energy , the more stable they are. Due to the conducting electronic character revealed by band structure analysis and density of states (DOS) profile for asymmetric edge‐passivated ZGeSeNRs. These configurations are studied to examine crucial static and dynamic parameters (such as , , and ) and the number of transmission channels on which these parameters depend is also calculated. We observed that the minimum values for all the parameters with (4.31 (5.97 ), and (12.91 ) for F‐8z‐GeSeNR‐F configuration, hence, this configuration emerges as the promising choice for nanoscale metal interconnects.