Hyperfine Fields in Complex Metallic Systems: Co Clusters Embedded in Cu

We have used first-principles linear muffin tin orbital (LMTO-ASA) electronic structure calculations, implemented directly in real space (RS) to theoretically investigate the behavior of the hyperfine field of Co clusters embedded in fcc Cu. We find that the magnitude of the dominant contact contribution to the hyperfine field decreases significantly as one goes from the Co site at the center of the cluster to those at the Co–Cu interface. To better understand this behavior, we use a simple model which closely reproduces the first-principles calculations, but is physically more transparent. Our approach can partially deconvolute the several dependences, calling attention to the processes which regulate the hyperfine field behavior in these complex Co–Cu systems.