title: Magnetic and electronic properties of bulk and clusters of FePt L1(0).
abstract: An efficient tight-binding model including magnetism and spin-orbit interactions is extended to metallic alloys. The tight-binding parameters are determined from a fit to bulk ab initio calculations of each metal and rules are given to obtain the heteroatomic parameters. The spin and orbital magnetic moments as well as the magneto-crystalline anisotropy are derived. We apply this method to bulk FePt L1(0) and the results are compared with success to ab initio results where available. Finally this model is applied to a set of FePt L1(0) clusters and physical trends are derived.
authors.affiliation: CEA, IRAMIS, SPCSI, F-91191 Gif sur Yvette, France. cyrille.barreteau@cea.fr
authors.forename: Cyrille
authors.initials: C
authors.lastname: Barreteau
authors.forename: Daniel
authors.initials: D
authors.lastname: Spanjaard
mesh_terms: D000497:Alloys / Q000737:chemistry; D003198:Computer Simulation; D004553:Electric Conductivity; D060526:Magnetic Fields; D008670:Metals / Q000737:chemistry*; D008956:Models, Chemical
chemical_list: D000497:Alloys; D008670:Metals