First-principles local spin density calculations were performed for clusters representing an Fe impurity in Be, Mg, Ca, Sr and Al. Magnetic moments on Fe were obtained. BeFe was found to be non-magnetic; Fe in Mg, Ca and Sr was found to have a moment > 2μB. The magnetic moment of Fe in Al was found to be quenched, if relaxation of first neighbors is considered.
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics