Ab initio screening of metallic MAX ceramics for advanced interconnect applications

TL;DR

This study uses first principles simulations to evaluate layered MAX phases as potential conductors for advanced CMOS interconnects, benchmarking their resistivity scaling and electromigration resistance.

Contribution

It provides a comprehensive first-principles analysis of MAX phases, highlighting their potential as alternative conductors in future semiconductor interconnects.

Findings

Many MAX phases exhibit promising resistivity scaling.

Some MAX phases show comparable or better electromigration resistance than Cu.

MAX phases could serve as durable interconnect materials in advanced CMOS nodes.

Abstract

The potential of a wide range of layered ternary carbide and nitride MAX phases as conductors in interconnect metal lines in advanced CMOS technology nodes has been evaluated using automated first principles simulations based on density functional theory. The resistivity scaling potential of these compounds, i.e. the sensitivity of their resistivity to reduced line dimensions, has been benchmarked against Cu and Ru by evaluating their transport properties within a semiclassical transport formalism. In addition, their cohesive energy has been assessed as a proxy for the resistance against electromigration and the need for diffusion barriers. The results indicate that numerous MAX phases show promise as conductors in interconnects of advanced CMOS technology nodes.