Density-functional investigation of the geometries, stabilities, electronic, and magnetic properties of gold cluster anions doped with aluminum: AunAl- (1 ⩽ n ⩽ 8)

► We determined the geometrical structures of AunAl− (1 ⩽ n ⩽ 8) clusters. ► We obtained the theoretical values of VDEs for AunAl− (1 ⩽ n ⩽ 8) clusters. ► Stability analysis has been carried out according to the calculated structures. ► Charge transfer between Au atoms and Al atom has been investigated by NPA results. ► Magnetic properties of the most stable AunAl− (1 ⩽ n ⩽ 8) structures have been studied.