Small Ni clusters at the (110) and (111) surfaces of Al: structures and lack of magnetic moment

Using the Voter and Chen embedded atom model potential for the Ni-Al system , we performed quenched molecular dynamics simulations to compute the groun d-state structures of small Ni-n clusters (n less than or equal to 10) at t he (1 1 0) and (1 1 1) surfaces of Al. Determination of spin-polarized elec tronic structure using a self-consistent tight-binding method showed that, due to hybridization between the AI sp and Ni d states, the Ni clusters are nonmagnetic. (C) 2001 Elsevier Science B.V. All rights reserved.