Numerical studies of size effects on resistivity in an oxidized CuAl ₂ film

Abstract By atomistic simulations, we investigated effects of oxidation on resistivity of CuAl 2 , which is expected to be a new interconnect material. Cu/Al/O reactive force field was developed for molecular dynamics (MD) simulations of CuAl 2 oxidation. From atomic positions of oxidized CuAl 2 films derived from MD simulations, resistivity was calculated by quantum transport simulations. Calculated resistivity was well reproduced by Fuchs-Sondheimer model with mean free path of 21 nm and surface specularity parameter of 0. The derived mean free path and surface specularity parameter realize precise modeling of interconnect resistivity composed of CuAl 2 .