Structure and physical properties of computer-simulated fullerene-based ultralow k dielectric materials

New insulating materials with low and ultralow dielectric constants and reasonable mechanical properties for future microelectronic applications are proposed. The material is designed as a network structure based on C-60 fullerenes interconnected by linker molecules. The theoretical treatment is difficult since interactions both on the atomic scale and on the structural level of 1 nm must be considered. Classical and quantum-theoretical methods are used to optimize the structures and to calculate dielectric and mechanical properties. The (static) dielectric constants, k, and elastic bulk moduli, B, of the proposed materials are in the range of k = 1.5 to 2.2 and B = 5 to 23 GPa, respectively.