Abstract: The possible geometry structure of Au_nRu(n=1~8) cluster was optimized using the density functional method B3LYP with relativistic effective core potential(RECP) and LANL2DZ basis set. The results indicate that the ground-state structure of Au_nRu(n=1, 2, 3, 4, 6) cluster had planar form. However, they are three-dimensional structure for Au_nRu(n=5, 7, 8) cluster. The calculation was condected for the Au_nRu(n=1~8) cluster atomic averaged binding energy(E_B), vertical ionization potential, the electron affinity, the second-order difference in energy(Δ²E), the fragmentation energy(ΔE) and the gap between the highest occupied molecular orbital(HOMO) and lowest unoccupied molecular orbital(LUMO). The results obtained from the calculation show that the AuRu had higher geometry structure and chemical stability