Structure analysis and property improvements of the computer-simulated fullerene-based ultralow-k dielectrics
We have recently proposed new ultralow-k dielectric materials using a theoretical approach called molecular design. This approach requires the application of complementary theoretical methods to describe the complex problems. The methods include classical, continuum theoretical, and quantum-chemical approximations. The advantage of the present approach is that various possible candidates for ultralow-k dielectrics can be tested theoretically without performing expensive and time-consuming experiments. In this study, we analyze the way to connect linker molecules to the node molecules, in order to improve mechanical and dielectric properties of generated ultralow-k structures. Two different types of bonding linker molecules to the cage C60 molecule with the >C C C CH2 CH2 C< linker molecules are possible. It is shown that at the present improvement step it is possible to get property combinations with dielectric constant of k=2.2 and bulk modulus of B=33GPa for the simple cubic topology.
molecular design low- and ultralow-k dielectrics interlayer dielectric nanostructured materials fullerenes and fullerene-based dielectrics