Mechanically reliable hybrid organosilicate glasses for advanced interconnects

We explore the structure–property relationships in hybrid organosilicate glasses that form a special class of materials for use in advanced interconnects to improve their mechanical reliability by exploiting the structural characteristics most effectively. Our results show that hybrid organosilicate glasses that are hyperconnected and derived from organic linkers with optimal molecular geometry lead to exceptional elastic and fracture properties. Using molecular dynamics simulations and the min-cut algorithm that is based on a novel graph theory approach, we demonstrate the choice of hyperconnected and cyclic planar organic linkers, such as the 1,3,5-benzene ring, significantly increases the bulk modulus and total fracture bond density, which is directly correlated with fracture energy.