First-principles high-throughput screening of ruthenium compounds for advanced interconnects

Abstract

As interconnect dimensions continue to shrink, the industry-standard copper faces a critical increase in resistivity, presenting a significant hurdle to overall device performance. To overcome this limitation, this work investigates the potential of ruthenium (Ru)-based compounds, encompassing binary, ternary, and quaternary systems, as viable alternatives to copper (Cu). Ruthenium is regarded as a strong candidate, owing to its inherent advantages in reliability and more favorable resistivity scaling at reduced dimensions. Moreover, forming compounds offers an effective strategy to engineer novel properties, expanding the material design space beyond the constraints of pure metals. Utilizing a high-throughput screening methodology, we systematically investigated a broad spectrum of 2,106 Ru-based compounds to identify candidates with superior electronic transport and reliability characteristics. Consequently, we successfully identified a total of 61 promising candidates that exhibit excellent resistivity scaling behavior and enhanced reliability. These findings demonstrate that Ru-based compounds offer a viable pathway to overcome the scaling limitations of next-generation interconnects.