Magnetism on Cu(001) due to a Single Transition-Metal Impurity

Abstract

Our first principles calculation has shown that single 3d transition-metal atoms embedded in the surface layer of Cu(001) can have considerable magnetic moments. In addition, Cu atoms closest to the impurity in the same layer also possess appreciable moment, which is not realized if the impurity is embedded in bulk Cu. The calculation indicates that intense d-d interaction and heavy charge exchange between the impurity and the host atoms occur in the surface layer, which therefore facilitates the enhancement of magnetism.