The Local Density of States of Embedded Cu and Cu(Ni) Clusters

The electronic structure of Cu and Cu(Ni) clusters is investigated being representative of the pure Cu and dilute Cu(Ni) alloy systems in a liquid or amorphous state. The clusters contain up to 43 atoms. The copper environment of the clusters is simulated by two kinds of embedding media, the John‐Keller medium and the Lenk‐Blaudeck medium. The local density of states (LDOS) for each atom in the cluster is evaluated using the formalism of Lloyd as well as of Anderson and McMillan. Calculations show that the Anderson‐McMillan LDOS, which follow from a local integration of the Green function, is preferable.