Investigation of Ta film growth mechanisms and atomic structures on polymer and SiC amorphous substrates

摘要

Large scale ab initio molecular dynamics simulations were undertaken to study the entire process of sputtering deposition of Ta atoms and Ta film formation on two different substrates, a low-k polymer and amorphous SiC. The calculation results gave insights into the Ta film growth mechanisms and their atomic ordering configurations on these substrates. Their effectiveness in blocking Cu diffusion was also investigated. Reasons for experimental observations of poor and good diffusion-barrier performances of Ta-polymer and Ta-SiC dielectric systems, respectively, were revealed from the simulations.