Molecular design of ultra-low-k hybrid glasses

Bridged organosilicates have recently emerged as potential ultra-low-k (ULK) candidates for the 32 nm technology node and beyond due to their superior mechanical properties. While the organic bridge provides enhanced network connectivity, the presence of terminal Si-Me groups has the opposite effect. Predicting the influence of the precursor structure and network connectivity on resulting material mechanical properties would be of tremendous interest to the semiconductor industry. Toward that goal, we have developed computational tools to generate highly accurate molecular models of a broad range of ULK organosilicates and make quantitative predictions about both their elastic and fracture properties (Fig 1). Here we demonstrate the enormous potential of these models for guiding the molecular design of new ULK materials to enable reliable integration in the future technology nodes.