Magnetic moments of Ni monolayers and small ground-state Ni clusters at the Al (001) surface

Using the embedded atom model potential proposed for Ni-Al systems by Voter and Chen, we performed molecular-dynamics simulations to compute the quenc hed structures of small Ni-n clusters (n less than or equal to 10) deposite d on or just beneath the Al (001) surface. Embedded clusters were always mo re stable than adsorbed clusters. Determination of spin-polarized electroni c structures using a self-consistent spd tight-binding method showed that, due to hybridization between the Al sp and Ni d states, embedded Ni-n clust ers and adsorbed or embedded Ni monolayers are nonmagnetic.